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280 SMILES Strings for ATPase family AAA domain-containing protein 2

Compound NameSMILES String
BDBM50365264 Cc1nnc2[C@H](NC(=O)OCc3ccccc3)N=C(c3ccccc3)c3ccccc3-n12 |r,t:18|
BDBM50365463 CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:7|
BDBM50380682 COc1cc2c3n([C@H](C)c4ccccn4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C |r,wD:7.7,(46.55,-39.62,;46.55,-41.16,;47.89,-41.93,;49.21,-41.16,;50.55,-41.92,;51.88,-41.15,;52.18,-39.65,;51.41,-38.32,;49.87,-38.32,;52.18,-36.98,;51.41,-35.66,;52.17,-34.32,;53.72,-34.32,;54.49,-35.66,;53.72,-36.99,;53.7,-39.47,;54.46,-38.13,;54.34,-40.87,;53.21,-41.9,;53.22,-43.46,;51.89,-44.23,;50.55,-43.47,;49.22,-44.25,;47.88,-43.47,;46.55,-44.24,;46.51,-45.79,;47.74,-46.72,;45.04,-46.23,;44.16,-44.97,;45.09,-43.74,;44.64,-42.27,)|
BDBM50030938 Cc1cc2n(C)c(=O)n(C)c2cc1N
BDBM50030942 Nc1cccc(c1)-c1n[nH]c(n1)-c1ccccc1
BDBM50030951 c1ccc(cc1)-c1nnc(o1)-c1ccncc1
BDBM50030935 COc1ccc2nc(NC(=O)C(C)C)sc2c1
BDBM50030936 CC(C)(C)c1csc(NC(=O)C2CCC2)n1
BDBM50030937 CC1(C)CNC(=O)c2sc(N)nc2C1
BDBM50030939 Cc1cc2ncccc2nc1O
BDBM50030940 CCN1C(=O)CCc2cc(N)ccc12
BDBM50030941 Nc1ccc2CCCN(C(=O)C3CC3)c2c1
BDBM50030958 Nc1cccc(c1)-c1nnc(o1)-c1cccs1
BDBM50030959 Nc1ccccc1-c1nnc(o1)-c1ccncc1
BDBM50030967 NC1=NC2=C(CCCC2)C2(CCCCC2)S1 |t:1,3|
BDBM50028142 C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r|
BDBM50098250 Cc1cncc(c1)-c1cnc(N[C@@H]2CCNC[C@H]2OCC2CCCCC2)c2[nH]c(=O)c(C)cc12 |r|
BDBM50098251 Cc1cc2c(cnc(N[C@@H]3CCNC[C@H]3OCC3CCCCC3)c2[nH]c1=O)-c1cncc(N)c1 |r|
BDBM50098252 Cc1cc2ccnc(N[C@@H]3CCNC[C@H]3OCC3CCOCC3)c2[nH]c1=O |r|
BDBM50098253 Cc1cc2ccnc(N[C@@H]3CCNC[C@H]3OCC3CCS(=O)(=O)CC3)c2[nH]c1=O |r|
BDBM50093452 Cc1cc2ccnc(NCCC3CCNCC3)c2[nH]c1=O
BDBM50098249 Cc1cc2ccnc(N[C@@H]3CCNC[C@H]3OCC3CCCCC3)c2[nH]c1=O |r|
BDBM50098254 Cc1cc2c(cnc(N[C@@H]3CCNC[C@H]3OCC3CCOCC3)c2[nH]c1=O)-c1cccnc1 |r|
BDBM50098255 Cc1cc2c(cnc(N[C@@H]3CCNC[C@H]3OCC3CCS(=O)(=O)CC3)c2[nH]c1=O)-c1cccnc1 |r|
BDBM50098300 Cc1cncc(c1)-c1cnc(N[C@@H]2CCNC[C@H]2OCC2CCOCC2)c2[nH]c(=O)c(C)cc12 |r|
BDBM50098302 COc1cncc(c1)-c1cnc(N[C@@H]2CCNC[C@H]2OCC2CCOCC2)c2[nH]c(=O)c(C)cc12 |r|
BDBM50098303 COc1cncc(c1)-c1cnc(N[C@@H]2CCNC[C@H]2OCC2CCS(=O)(=O)CC2)c2[nH]c(=O)c(C)cc12 |r|
BDBM50092310 COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)[nH]nc3C3CC3)c21 |(5.34,2.95,;5.34,1.67,;3.96,.87,;2.62,1.63,;1.3,.87,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;5.34,-1.44,;5.49,-3.01,;4.53,-3.86,;7.04,-3.34,;7.84,-1.97,;6.77,-.78,;7.03,.46,;,-1.4,;-1.3,-.64,;-2.64,-1.4,;-3.92,-.64,;-3.92,.87,;-2.64,1.63,;-2.66,3.22,;-3.96,4.12,;-5.16,3.71,;-3.48,5.64,;-1.89,5.66,;-1.38,4.15,;.14,3.67,;1.21,2.62,;1.55,4.18,;-1.3,.87,)|
BDBM50098304 Cc1cc2c(cnc(N[C@@H]3CCNC[C@H]3OCC3CCOCC3)c2[nH]c1=O)-c1cncnc1 |r|
BDBM50098307 CCc1cc2c(cnc(N[C@@H]3CCNC[C@H]3OCC3CCS(=O)(=O)CC3)c2[nH]c1=O)-c1cncc(C)c1 |r|
BDBM50098308 Cc1cc2ccnc(N[C@H]3CCNC[C@@H]3OCC3CCS(=O)(=O)CC3)c2[nH]c1=O |r|
BDBM50098309 Cc1cc2ccnc(N[C@@H]3CCNC[C@H]3OC[C@@H]3CCS(=O)(=O)C3)c2[nH]c1=O |r|
BDBM50098310 Cc1cc2ccnc(N[C@@H]3CCNC[C@H]3OCCC3CCOCC3)c2[nH]c1=O |r|
BDBM50098312 CO[C@@H]1CNCC[C@H]1Nc1nccc2cc(C)c(=O)[nH]c12 |r|
BDBM50098314 CCCO[C@@H]1CNCC[C@H]1Nc1nccc2cc(C)c(=O)[nH]c12 |r|
BDBM50098315 CC(C)CO[C@@H]1CNCC[C@H]1Nc1nccc2cc(C)c(=O)[nH]c12 |r|
BDBM50098316 Cc1cc2ccnc(N[C@@H]3CCNC[C@H]3OCC3CCCC3)c2[nH]c1=O |r|
BDBM50098317 Cc1cc2ccnc(N[C@@H]3CCNC[C@H]3OCC3CCCCCC3)c2[nH]c1=O |r|
BDBM50098318 Cc1cc2ccnc(N[C@H]3CCNC[C@@H]3OCC3CCCCC3)c2[nH]c1=O |r|
BDBM50098319 Cc1cncc(c1)-c1cnc(N[C@H]2CCNC[C@@H]2OCC2CCCCC2)c2[nH]c(=O)c(C)cc12 |r|
BDBM50098328 CC(=O)N1CCC(CO[C@@H]2CNCC[C@H]2Nc2nccc3cc(C)c(=O)[nH]c23)CC1 |r|
BDBM50098329 Cc1cc2ccnc(N[C@@H]3CCNC[C@H]3OC[C@H]3CC[C@H](O)CC3)c2[nH]c1=O |r,wU:14.15,17.17,wD:9.8,20.21,(-3.75,1.39,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;1.33,-3.08,;2.67,-3.85,;4,-3.07,;5.34,-3.84,;5.34,-5.38,;4.01,-6.15,;2.68,-5.39,;1.34,-6.16,;.01,-5.39,;-1.33,-6.16,;-1.32,-7.7,;-2.65,-8.48,;-3.99,-7.71,;-5.05,-8.33,;-4,-6.17,;-2.66,-5.4,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-3.75,-1.39,)|
BDBM50098330 Cc1cc2ccnc(N[C@H]3CCNC[C@@H]3OCC3CCOCC3)c2[nH]c1=O |r|
BDBM50096282 COc1cncc(c1)-c1cnc(NC2CCNCC2)c2[nH]c(=O)c(C)cc12
BDBM50096283 Cc1cc2c(cnc(NC3CCNCC3)c2[nH]c1=O)-c1cncc(Cl)c1
BDBM50096296 Cc1cc2c(cnc(NC3CCNCC3)c2[nH]c1=O)-c1cncc(c1)C(N)=O
BDBM50096297 Cc1cc2ccccc2[nH]c1=O
BDBM50098301 Cc1cncc(c1)-c1cnc(N[C@@H]2CCNC[C@H]2OCC2CCS(=O)(=O)CC2)c2[nH]c(=O)c(C)cc12 |r|
BDBM50150069 CCCCc1c(C)nc2nc(SCc3nc4n(CCCC)c(=O)[nH]c(=O)c4n3CC)nn2c1C
BDBM50098305 Cc1cncc(c1)-c1ccc(N[C@@H]2CCNC[C@H]2OCC2CCS(=O)(=O)CC2)c2[nH]c(=O)c(C)cc12 |r|
BDBM50098306 C[C@H]1C[C@@H](CO[C@@H]2CNCC[C@H]2Nc2ncc(-c3cncc(C)c3)c3cc(C)c(=O)[nH]c23)C[C@@H](C)S1(=O)=O |r|
BDBM50098311 CN1CC[C@@H](Nc2ncc(-c3cncc(C)c3)c3cc(C)c(=O)[nH]c23)[C@@H](C1)OCC1CCS(=O)(=O)CC1 |r|
BDBM50098313 CC(C)O[C@@H]1CNCC[C@H]1Nc1nccc2cc(C)c(=O)[nH]c12 |r|
BDBM50093444 CN(C)CCCNc1nccc2cc(C)c(=O)[nH]c12
BDBM50093446 Cc1cc2cccc(NC3CCNCC3)c2[nH]c1=O
BDBM50093448 Cc1cc2cccc(N[C@@H]3CCNC3)c2[nH]c1=O |r|
BDBM50093449 Cc1cc2ccnc(N[C@@H]3CCNC3)c2[nH]c1=O |r|
BDBM50093453 Cc1cc2ccnc(NCCC3CCCNC3)c2[nH]c1=O
BDBM50093454 Cc1cc2ccnc(NCC3CCNCC3)c2[nH]c1=O
BDBM50093455 CN(C)CC(C)(C)CNc1nccc2cc(C)c(=O)[nH]c12
BDBM50093456 Cc1cc2ccnc(N[C@@H]3CCCNC3)c2[nH]c1=O |r|
BDBM50093458 Cc1cc2ccnc(NC[C@H]3CCNC3)c2[nH]c1=O |r|
BDBM50093459 Cc1cc2ccnc(NCC3CCCNC3)c2[nH]c1=O
BDBM50093460 CN1CCC(CC1)Nc1nccc2cc(C)c(=O)[nH]c12
BDBM50093461 Cc1cc2ccnc(NC3CCN(CC3)C3CC3)c2[nH]c1=O
BDBM50093463 CCCNc1cccc2cc(C)c(=O)[nH]c12
BDBM50093464 Cc1cc2cccc(NCCO)c2[nH]c1=O
BDBM50093465 Cc1cc2cccc(NCCCO)c2[nH]c1=O
BDBM50093466 Cc1cc2cccc(NCc3ncc[nH]3)c2[nH]c1=O
BDBM50093468 Cc1cc2cccc(NCCC(O)=O)c2[nH]c1=O
BDBM50093462 CN(C)CCNc1cccc2cc(C)c(=O)[nH]c12
BDBM50093467 COCCNc1cccc2cc(C)c(=O)[nH]c12
BDBM50093470 CN(C)CCCNc1cccc2cc(C)c(=O)[nH]c12
BDBM50093447 Cc1cc2ccnc(NC3CCNCC3)c2[nH]c1=O
BDBM50093450 Cc1cc2cccc(N[C@H]3CCNC3)c2[nH]c1=O |r|
BDBM50093451 Cc1cc2ccnc(N[C@H]3CCNC3)c2[nH]c1=O |r|
BDBM50093457 Cc1cc2ccnc(N[C@H]3CCC[C@H](N)C3)c2[nH]c1=O |r|
BDBM50093469 CN(C)CCNc1nccc2cc(C)c(=O)[nH]c12
BDBM50096280 Cc1cc2c(cnc(NC3CCNCC3)c2[nH]c1=O)-c1cncc(N)c1
BDBM50096281 Cc1cc2c(cnc(NC3CCNCC3)c2[nH]c1=O)-c1cncc(NS(C)(=O)=O)c1
BDBM50096298 Cc1cncc(c1C)-c1cnc(NC2CCNCC2)c2[nH]c(=O)c(C)cc12
BDBM50096299 Cc1ccc(cn1)-c1cnc(NC2CCNCC2)c2[nH]c(=O)c(C)cc12
BDBM50096300 Cc1cncc(c1)-c1cnc(NC2CCNCC2)c2[nH]c(=O)c(C)cc12
BDBM50096301 Cc1ccncc1-c1cnc(NC2CCNCC2)c2[nH]c(=O)c(C)cc12
BDBM50096302 COc1ccc(cn1)-c1cnc(NC2CCNCC2)c2[nH]c(=O)c(C)cc12
BDBM50096307 Cc1cc2c(cnc(NC3CCNCC3)c2[nH]c1=O)-c1cncnc1
BDBM50096308 Cc1cc2c(cnc(NC3CCNCC3)c2[nH]c1=O)-c1cncc(COC(N)=O)c1
BDBM50096309 COCCCN1CCC(CC1)Nc1nccc2cc(C)c(=O)[nH]c12
BDBM50096310 COCCN1CCC(CC1)Nc1nccc2cc(C)c(=O)[nH]c12
BDBM50096311 [H][C@]12CC[C@]([H])(C[C@@H](C1)Nc1nccc3cc(C)c(=O)[nH]c13)N2C |r|
BDBM50096312 Cc1cc2c(cnc(NC3CCNCC3)c2[nH]c1=O)-c1cccnc1
BDBM50096313 Cc1cc2c(cnc(NC3CCNCC3)c2[nH]c1=O)-c1cc[nH]n1
BDBM50096314 Cc1cc2c(cnc(NC3CCNCC3)c2[nH]c1=O)-c1cccc2[nH]ncc12
BDBM50096315 Cc1cc2c(cnc(NC3CCNCC3)c2[nH]c1=O)-c1ccncc1
BDBM50096316 Cc1cc2c(cnc(NC3CCNCC3)c2[nH]c1=O)-c1cccnc1C
BDBM50096317 Cc1cc2c(cnc(NC3CCNCC3)c2[nH]c1=O)-c1cn[nH]c1
BDBM50096318 Cc1cc2c(cnc(NC3CCNCC3)c2[nH]c1=O)-c1ccccc1
BDBM50096319 [H][C@]12CC[C@]([H])(C[C@H](C1)Nc1nccc3cc(C)c(=O)[nH]c13)N2C |r|
BDBM50096320 Cc1cc2c(cnc(NC3CCNCC3)c2[nH]c1=O)-c1cccc(O)c1
BDBM50096321 CC(=O)N1CCc2cc(ccc12)-c1cnc(NC2CCNCC2)c2[nH]c(=O)c(C)cc12
BDBM50096322 Cc1cc2c(cnc(NC3CCNCC3)c2[nH]c1=O)-c1ccccn1
BDBM249277 Cc1noc(C)c1-c1cc(-c2c(C)ccc3ncccc23)c2[nH]c(nc2c1)C1CC1 |(1.89,3.57,;.56,4.34,;.08,5.8,;-1.46,5.8,;-1.94,4.34,;-3.27,3.57,;-.69,3.44,;-.69,1.9,;.64,1.13,;.64,-.41,;1.98,-1.18,;3.31,-.41,;3.31,1.13,;4.65,-1.18,;4.65,-2.72,;3.31,-3.49,;3.31,-5.03,;1.98,-5.8,;.64,-5.03,;.64,-3.49,;1.98,-2.72,;-.69,-1.18,;-1.01,-2.69,;-2.54,-2.85,;-3.17,-1.45,;-2.02,-.41,;-2.02,1.13,;-3.31,-4.19,;-4.65,-4.96,;-3.31,-5.73,)|
BDBM50157646 Cn1c2ccccc2ccc1=O
BDBM50158627 CCOc1ccc(cc1-c1cn(C)c(=O)c2ccc(cc12)-c1cnn(C)c1)S(=O)(=O)CC
BDBM179481 COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccnc4ccccc34)c21 |(-1.5,3.22,;-2.13,1.81,;-1.36,.48,;.18,.48,;.95,-.85,;.18,-2.19,;-1.36,-2.19,;-2.13,-.85,;-3.67,-.85,;-4.57,-2.1,;-4.18,-3.59,;-6.04,-1.62,;-6.04,-.08,;-4.57,.39,;-4.18,1.88,;1.21,-3.33,;2.62,-2.71,;4.03,-3.33,;5.27,-2.43,;6.68,-3.05,;5.11,-.9,;3.7,-.27,;3.31,1.22,;1.84,1.69,;1.52,3.2,;2.66,4.23,;4.13,3.75,;5.27,4.79,;6.74,4.31,;7.06,2.8,;5.91,1.77,;4.45,2.25,;2.46,-1.17,)|
BDBM321424 COc1cc(c(OC)cc1C(=O)N1CCOCC1)-c1cn(C\C=C\C)c(=O)c2[nH]c(C)cc12
BDBM321437 COc1cc(c(OC)cc1-c1cn(C\C=C\C)c(=O)c2[nH]c(C)cc12)C(C)(C)O
BDBM50249797 CCc1cc2cc(NS(=O)(=O)c3ccc(cc3)C#N)ccc2n(CC)c1=O
BDBM50249810 Cc1cc2cc(NS(=O)(=O)c3ccc(cc3)C#N)ccc2n(C)c1=O
BDBM50464128 CO[C@H]1CNC[C@@H](OCC2CCC(F)(F)CC2)[C@@H]1Nc1ncc(-c2cncc(C)c2)c2cc(C)c(=O)[nH]c12 |r|
BDBM50464129 Cc1cncc(c1)-c1ccc(N[C@@H]2CCNC[C@H]2OCC2CCC(F)(F)CC2)c2[nH]c(=O)c(C)cc12 |r|
BDBM50464130 CO[C@H]1CNC[C@@H](OCC2CCOCC2)[C@@H]1Nc1ncc(-c2cncc(C)c2)c2cc(C)c(=O)[nH]c12 |r|
BDBM50464127 CO[C@H]1CNC[C@@H](OCC2CCS(=O)(=O)CC2)[C@@H]1Nc1ncc(-c2cncc(C)c2)c2cc(C)c(=O)[nH]c12 |r|
BDBM50464131 [H][C@]12CC[C@]([H])(N1)[C@@H](CCC1CCOCC1)[C@@H](C2)Nc1ncc(-c2cncc(C)c2)c2cc(C)c(=O)[nH]c12 |r|
BDBM50464132 [H][C@]12CC[C@]([H])(N1)[C@@H](CCC1CCS(=O)(=O)CC1)[C@@H](C2)Nc1ncc(-c2cncc(C)c2)c2cc(C)c(=O)[nH]c12 |r|
BDBM50464133 CO[C@@H]1CNC[C@H](OC)[C@H]1Nc1nccc2cc(C)c(=O)[nH]c12 |r|
BDBM50464134 [H][C@]12CC[C@]([H])(N1)[C@@H](CCC1CCC(F)(F)CC1)[C@@H](C2)Nc1ncc(-c2cncc(C)c2)c2cc(C)c(=O)[nH]c12 |r|
BDBM50464135 [H][C@]12CC[C@]([H])(N1)[C@@H](CCC1CCS(=O)(=O)CC1)[C@@H](C2)Nc1ccc(-c2cncc(C)c2)c2cc(C)c(=O)[nH]c12 |r|
BDBM50453949 CNC(=O)c1ccc(cn1)-c1cc2cccc(-c3nn(C4CCOCC4)c4CCN(Cc34)C(C)=O)c2cn1
BDBM50455480 CC(=O)N1[C@H](CN(Cc2ccccc2CO)c2cc(ccc12)C1=CCNCC1)C1CC1 |r,t:25|
BDBM50468909 Cc1nc(NC(=O)CCCOc2ccc(C)cc2)sc1C
BDBM50366670 COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Nc3cc(nn3C)C3CC3)c21 |(86.87,-46.33,;85.61,-45.43,;84.21,-46.07,;84.06,-47.6,;82.66,-48.24,;81.41,-47.34,;81.56,-45.82,;82.95,-45.18,;83.09,-43.65,;81.94,-42.63,;80.43,-42.97,;82.55,-41.22,;84.08,-41.36,;84.42,-42.87,;85.83,-43.48,;80.17,-48.26,;80.66,-49.73,;79.89,-51.06,;80.66,-52.39,;79.89,-53.73,;82.21,-52.4,;82.97,-51.06,;84.51,-51.06,;85.28,-52.39,;84.66,-53.8,;85.81,-54.83,;87.14,-54.06,;86.82,-52.56,;87.85,-51.41,;85.64,-56.36,;84.75,-57.61,;86.28,-57.77,;82.2,-49.71,)|
BDBM50504157 Cc1ccc(NC(=O)CN2C(=O)NC(Cc3ccccc3)C2=O)cc1S(=O)(=O)N1CCCCC1
BDBM50504158 CC1CCCN(C1)S(=O)(=O)c1cc(NC(=O)CN2C(=O)CNC2=O)ccc1Br
BDBM50514858 CN1CCc2c(C1)nnn2CC(=O)Nc1ccc(Cl)c(c1)S(=O)(=O)N1CC[C@@H](C1)C1CC1 |r|
BDBM50514860 CN(C)S(=O)(=O)c1cc(NC(=O)CN2C(=O)CNC2=O)ccc1Cl
BDBM50514861 C[C@@H]1CCN(C1)S(=O)(=O)c1cc(NC(=O)CN2C(=O)CNC2=O)ccc1Cl |r|
BDBM50514866 CC1NC(=O)N(CC(=O)Nc2ccc(Cl)c(c2)S(=O)(=O)N2CCCC2)C1=O
BDBM50514870 C[C@]1(NC(=O)N(CC(=O)Nc2ccc(Br)c(c2)S(=O)(=O)N2CCCC2)C1=O)C1CC1 |r|
BDBM50514872 C[C@H]1CCN(C1)S(=O)(=O)c1cc(NC(=O)Cn2c3ccccc3[nH]c2=O)ccc1Br |r|
BDBM50514875 C[C@H]1CCN(C1)S(=O)(=O)c1cc(NC(=O)Cn2cc(CN(C)C)nn2)ccc1Br |r|
BDBM50514876 COCc1cnnn1CC(=O)Nc1ccc(Br)c(c1)S(=O)(=O)N1CC[C@H](C)C1 |r|
BDBM50504163 CCC(=O)Nc1ccc(N)c(c1)S(=O)(=O)N1CCCCC1
BDBM50504160 CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1
BDBM50504161 CCC(=O)Nc1ccc(C#N)c(c1)S(=O)(=O)N1CCCCC1
BDBM50504164 CCC(=O)Nc1ccc(Cl)c(c1)S(=O)(=O)N1CCCCC1
BDBM50504165 CCC(=O)Nc1ccc(c(c1)S(=O)(=O)N1CCCCC1)C(F)(F)F
BDBM50504166 CN1CCN(CC1)c1nc(C(=O)c2ccccc2)c2cnn(C)c2n1
BDBM50504167 Cc1ccc(NC(=O)CN2C(=O)NC(C)(C)C2=O)cc1S(=O)(=O)N1CCCCCC1
BDBM50504168 CCC(=O)Nc1ccc(CC)c(c1)S(=O)(=O)N1CCCCC1
BDBM50504139 Clc1ccc(NC(=O)CNC(=O)C2CCCCC2)cc1S(=O)(=O)N1CCCCC1
BDBM50514878 CCN1CCc2c(C1)nnn2CC(=O)Nc1ccc(Br)c(c1)S(=O)(=O)N1CC[C@H](C)C1 |r|
BDBM50514885 C[C@H]1CCN(C1)S(=O)(=O)c1cc(NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)ccc1Br |r|
BDBM50514887 C[C@H]1CCN(C1)S(=O)(=O)c1cc(NC(=O)Cn2nnc(C)c2C)ccc1Br |r|
BDBM50514889 C[C@H]1CCN(C1)S(=O)(=O)c1cc(NC(=O)Cn2nnc3CCN(C)Cc23)ccc1Br |r|
BDBM50514891 CC1(C)CCN(C1)S(=O)(=O)c1cc(NC(=O)CN2C(=O)CNC2=O)ccc1Cl
BDBM50514895 C[C@H]1CCN(C1)S(=O)(=O)c1cc(NC(=O)CN2C(=O)CNC2=O)ccc1Cl |r|
BDBM50514897 C[C@H]1CCN(C1)S(=O)(=O)c1cc(NC(=O)Cn2nnc3CNCCc23)ccc1Br |r|
BDBM50504141 CSCCC1NC(=O)N(CC(=O)Nc2ccc(Cl)c(c2)S(=O)(=O)N2CCOCC2)C1=O
BDBM50504142 CN(C)S(=O)(=O)c1cc(NC(=O)CN2C(=O)NC3(CCCc4ccccc34)C2=O)ccc1Cl
BDBM50504144 CN1CC(=O)N(CC(=O)Nc2ccc(C)c(c2)S(=O)(=O)N2CCCCC2)C1=O
BDBM50504146 CC1(NC(=O)N(CC(=O)Nc2cccc(c2)S(=O)(=O)N2CCCCC2)C1=O)C1CC1
BDBM50514848 Clc1ccc(NC(=O)CN2C(=O)CNC2=O)cc1S(=O)(=O)C1CCCCC1
BDBM50514850 CC1CCCN1S(=O)(=O)c1cc(NC(=O)CN2C(=O)CNC2=O)ccc1Cl
BDBM50514854 CN1CCc2c(C1)nnn2CC(=O)Nc1ccc(Cl)c(c1)S(=O)(=O)N1CC[C@H](C1)C1CC1 |r|
BDBM50514855 CN(C)CC1CCN(C1)S(=O)(=O)c1cc(NC(=O)CN2C(=O)CNC2=O)ccc1Cl
BDBM50514857 C[C@H]1CCN(C1)S(=O)(=O)c1cc(NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)ccc1Br |r|
BDBM50504149 CCC(=O)Nc1ccc(OC)c(c1)S(=O)(=O)N1CCCCC1
BDBM50504150 CCC(=O)Nc1ccc(Br)c(c1)S(=O)(=O)N1CCCCC1
BDBM50504147 CCC(=O)Nc1ccc(F)c(c1)S(=O)(=O)N1CCCCC1
BDBM50504151 Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Cl)c(c1)S(=O)(=O)N1CCCCC1
BDBM50504152 Cc1ccc(cc1)C1(C)NC(=O)N(CC(=O)Nc2ccc(C)c(c2)S(=O)(=O)N2CCCCC2)C1=O
BDBM50504156 Cc1ccc(NC(=O)CN2C(=O)NC3(CCc4ccccc34)C2=O)cc1S(=O)(=O)N1CCCCC1
BDBM50514849 C[C@H]1CCN(C1)S(=O)(=O)c1cc(NC(=O)Cn2ccnn2)ccc1Br |r|
BDBM50514851 C[C@H]1CCN(C1)S(=O)(=O)c1cc(NC(=O)Cc2coc3ccccc23)ccc1Br |r|
BDBM50514852 C[C@H]1CCN(C1)S(=O)(=O)c1cc(NC(=O)Cc2noc3ccccc23)ccc1Br |r|
BDBM50514853 CN1CCc2c(C1)nnn2CC(=O)Nc1ccc(Br)c(c1)S(=O)(=O)N1CC[C@H](C1)C1CC1 |r|
BDBM50514856 CN1CCc2c(C1)nnn2CC(=O)Nc1ccc(Br)c(c1)S(=O)(=O)N1CC[C@@H](C1)C1CC1 |r|
BDBM50514859 Clc1ccc(NC(=O)CN2C(=O)CNC2=O)cc1S(=O)(=O)N1CCCCCC1
BDBM50514862 Clc1ccc(NC(=O)CN2C(=O)CNC2=O)cc1S(=O)(=O)N1CCC2(CC2)C1
BDBM50514863 C[C@@H]1CN(C[C@H]1C)S(=O)(=O)c1cc(NC(=O)CN2C(=O)CNC2=O)ccc1Cl |r|
BDBM50514864 Clc1ccc(NC(=O)CN2C(=O)CNC2=O)cc1S(=O)(=O)N1CCC(C1)C1CC1
BDBM50514865 Clc1ccc(NC(=O)CN2C(=O)CNC2=O)cc1S(=O)(=O)n1ccnc1
BDBM50514867 Clc1ccc(NC(=O)CN2C(=O)COC2=O)cc1S(=O)(=O)N1CCCC1
BDBM50514868 Clc1ccc(NC(=O)CN2C(=O)CCC2=O)cc1S(=O)(=O)N1CCCC1
BDBM50514869 CC(=O)Nc1ccc(Cl)c(c1)S(=O)(=O)N1CCCC1
BDBM50514871 C[C@@H]1CN(C[C@H]1C)S(=O)(=O)c1cc(NC(=O)CN2C(=O)NC(C)(C3CC3)C2=O)ccc1Br |r|
BDBM50514873 C[C@H]1CCN(C1)S(=O)(=O)c1cc(NC(=O)Cn2c3ccccc3oc2=O)ccc1Br |r|
BDBM50514874 COCc1cn(CC(=O)Nc2ccc(Br)c(c2)S(=O)(=O)N2CC[C@H](C)C2)nn1 |r|
BDBM50514877 C[C@H]1CCN(C1)S(=O)(=O)c1cc(NC(=O)Cn2nnc3CN(C)CCc23)ccc1Br |r|
BDBM50514880 C[C@H]1CN(C[C@H]1C)S(=O)(=O)c1cc(NC(=O)CN2C(=O)CNC2=O)ccc1Cl |r|
BDBM50514881 COCC1CCN(C1)S(=O)(=O)c1cc(NC(=O)CN2C(=O)CNC2=O)ccc1Cl
BDBM50514882 CC1(C)NC(=O)N(CC(=O)Nc2ccc(Cl)c(c2)S(=O)(=O)N2CCCC2)C1=O
BDBM50514883 CC1(NC(=O)N(CC(=O)Nc2ccc(Cl)c(c2)S(=O)(=O)N2CCCC2)C1=O)C1CC1
BDBM50514884 Clc1ccc(NC(=O)CN2CCCC2=O)cc1S(=O)(=O)N1CCCC1
BDBM50514886 C[C@H]1CCN(C1)S(=O)(=O)c1cc(NC(=O)Cn2nnc3ccccc23)ccc1Br |r|
BDBM50514888 CCCc1cn(CC(=O)Nc2ccc(Br)c(c2)S(=O)(=O)N2CC[C@H](C)C2)nn1 |r|
BDBM50514890 C[C@H]1CCN(C1)S(=O)(=O)c1cc(NC(=O)Cn2nnc3CN(CC(F)(F)F)CCc23)ccc1Br |r|
BDBM50514893 CCC1CCN(C1)S(=O)(=O)c1cc(NC(=O)CN2C(=O)CNC2=O)ccc1Cl
BDBM50514894 C[C@H]1CCN(C1)S(=O)(=O)c1cc(NC(=O)Cn2nncc2CN(C)C)ccc1Br |r|
BDBM50514896 CC(C)N1CCc2c(C1)nnn2CC(=O)Nc1ccc(Br)c(c1)S(=O)(=O)N1CC[C@H](C)C1 |r|
BDBM50514898 Clc1ccc(NC(=O)CN2C(=O)CNC2=O)cc1S(=O)(=O)N1CCCCC1
BDBM50510872 Cc1noc2[C@H](CC(N)=O)N=C(c3ccc(Cl)cc3)c3ccccc3-c12 |r,t:10|
BDBM50520627 COc1cc(Cl)c(cc1-c1ccc(CN[C@H](C)c2ccc(C)cc2)o1)C(=O)N[C@@H](CN[C@@H]1CC[C@H](N)CC1)Cc1ccc(cc1)C#N |r,wU:31.33,34.37,15.16,wD:28.41,(53.24,-30.34,;54.54,-29.52,;54.48,-27.98,;55.78,-27.15,;55.71,-25.6,;57.01,-24.77,;54.34,-24.9,;53.05,-25.72,;53.11,-27.27,;51.81,-28.09,;51.72,-29.63,;50.23,-30.02,;49.4,-28.72,;47.87,-28.62,;47.01,-29.9,;45.48,-29.81,;44.79,-28.43,;44.62,-31.09,;43.09,-30.98,;42.23,-32.27,;42.92,-33.65,;42.07,-34.93,;44.46,-33.74,;45.31,-32.46,;50.38,-27.53,;54.27,-23.36,;55.57,-22.53,;52.9,-22.65,;52.83,-21.11,;54.13,-20.28,;54.06,-18.74,;55.36,-17.91,;56.72,-18.63,;58.02,-17.8,;57.95,-16.26,;59.25,-15.44,;56.59,-15.55,;55.28,-16.38,;51.47,-20.4,;50.17,-21.23,;48.81,-20.52,;47.51,-21.34,;47.58,-22.88,;48.96,-23.59,;50.25,-22.76,;46.29,-23.72,;44.99,-24.55,)|
BDBM50504137 CC1(NC(=O)N(CC(=O)Nc2ccc(Cl)c(c2)S(=O)(=O)N2CCCCC2)C1=O)C1CC1
BDBM50504138 CCN(CC)S(=O)(=O)c1cc(NC(=O)CN2C(=O)NC(C)(C2=O)c2ccccc2)ccc1C
BDBM50504140 Clc1ccc(NC(=O)CN2C(=O)NC(CCc3ccccc3)C2=O)cc1S(=O)(=O)N1CCCCC1
BDBM50504143 Cc1ccc(NC(=O)CN2C(=O)NC(C)(C3CC3)C2=O)cc1S(=O)(=O)N1CCCCC1
BDBM50504145 Cc1ccccc1C(=O)NCC(=O)Nc1ccc(C)c(c1)S(=O)(=O)N1CCCCCC1
BDBM50504148 CCC(=O)Nc1ccc(O)c(c1)S(=O)(=O)N1CCCCC1
BDBM50504153 CC1(NC(=O)N(CC(=O)Nc2ccc(c(c2)S(=O)(=O)N2CCCCC2)C(F)(F)F)C1=O)C1CC1
BDBM50504159 CC1(NC(=O)N(CC(=O)Nc2ccc(Br)c(c2)S(=O)(=O)N2CCCCC2)C1=O)C1CC1
BDBM50504155 Clc1ccc(NC(=O)CCNC(=O)c2ccccc2)cc1S(=O)(=O)N1CCCCC1
BDBM50514879 C[C@H]1CCN(C1)S(=O)(=O)c1cc(NC(=O)Cn2nnc3CN(CCc23)C(C)=O)ccc1Br |r|
BDBM50504162 Clc1ccc(NC(=O)CCNC2=NS(=O)(=O)c3ccccc23)cc1S(=O)(=O)N1CCCC1 |t:11|
BDBM50514892 CCCc1cnnn1CC(=O)Nc1ccc(Br)c(c1)S(=O)(=O)N1CC[C@H](C)C1 |r|
BDBM50504154 COc1ccc(NC(=O)CN2C(=O)NC(C)(C3CC3)C2=O)cc1S(=O)(=O)N1CCCCC1
BDBM50539801 CCS(=O)(=O)Nc1cc(cc2n(ccc12)C(C)(c1ccccn1)c1ccccn1)-c1cn(C)c2c1cc[nH]c2=O
BDBM50543321 C[C@@H](N)C(=O)Nc1nc(cs1)C(C)=O |r|
BDBM50543322 CC(=O)c1csc(NC(=O)[C@H]2CNCCN2)n1 |r|
BDBM50543323 C[C@@H](NC(N)=N)C(=O)Nc1nc(cs1)C(C)=O |r|
BDBM50543324 CC(=O)c1csc(NC(=O)C(C)(C)N)n1
BDBM50543325 C[C@@H](N)C(=O)Nc1nc2c(CCCC2=O)s1 |r|
BDBM50543326 C[C@@H](N)C(=O)Nc1nc(C(C)=O)c(s1)-c1cccc(O)c1 |r|
BDBM50543327 COc1cccc(c1)-c1sc(NC(=O)[C@@H](C)N)nc1C(C)=O |r|
BDBM50543328 C[C@@H](N)C(=O)Nc1nc(C(C)=O)c(s1)-c1cncc(N)c1 |r|
BDBM50543329 C[C@@H](N)C(=O)Nc1nc(C(C)=O)c(s1)-c1cccnc1 |r|
BDBM50543330 C[C@@H](N)C(=O)Nc1nc(C(C)=O)c(s1)-c1cccc(N)c1 |r|
BDBM50543331 CC(=O)c1nc(NC(=O)C(C)(C)N)sc1-c1cncc(N)c1
BDBM50543332 CC(=O)c1nc(NC(=O)[C@H]2CNCCN2)sc1-c1cncc(N)c1 |r|
BDBM50543333 C[C@@H](NC(N)=N)C(=O)Nc1nc(C(C)=O)c(s1)-c1cncc(N)c1 |r|
BDBM50543334 CC(=O)c1nc(NC(=O)C2(N)CCC2)sc1-c1cncc(N)c1
BDBM50543335 CC(=O)c1nc(NC(=O)[C@H]2CNCCN2)sc1-c1ccc(cc1)N1CCCC1=O |r|
BDBM50543336 CC(=O)c1nc(NC(=O)[C@H]2CNCCN2)sc1-c1ccc(cc1)C(=O)N1CCOCC1 |r|
BDBM50543337 CC(=O)c1csc(NC(=O)[C@H]2CNCCN2CCC2CCC(F)(F)CC2)n1 |r|
BDBM50543338 CC(=O)c1nc(NC(=O)[C@H]2CNCCN2CCC2CCC(F)(F)CC2)sc1-c1cncc(N)c1 |r|
BDBM50547687 CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCNC(C)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](N)CO)C(O)=O |r|
BDBM50547689 CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CN)C(=O)NCC(=O)N[C@@H](CCCCNC(C)=O)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
BDBM50558065 C[C@@H]1CN(c2ccc(Cl)cc2)c2cc(ccc2-n2c(C)nnc12)-c1ccc(N)nc1 |r|
BDBM50560174 CN1CC[C@@H](Nc2ncc(-c3ccco3)c3cc(C)c(=O)[nH]c23)[C@@H](C1)C(=O)NC1CCCCC1
BDBM50560175 Cc1cc2ccnc(N[C@@H]3CCNC[C@H]3C(=O)NC3CCCCC3)c2[nH]c1=O |r|
BDBM50560176 Cc1cc2ccnc(N[C@@H]3CCNC[C@@H]3C(=O)NC3CCCCC3)c2[nH]c1=O |r|
BDBM50560177 Cc1cc2ccnc(N[C@@H]3CCNC[C@H]3C(=O)NCC3CCCC3)c2[nH]c1=O |r|
BDBM50560178 CC(C)CNC(=O)[C@@H]1CNCC[C@H]1Nc1nccc2cc(C)c(=O)[nH]c12 |r|
BDBM50560179 Cc1cc2ccnc(N[C@@H]3CCNC[C@H]3C(=O)NC3CCCC3)c2[nH]c1=O |r|
BDBM50560180 Cc1cc2ccnc(N[C@@H]3CCNC[C@H]3C(=O)NCC3CC3)c2[nH]c1=O |r|
BDBM50560181 CC(C)[C@@H](C)NC(=O)[C@@H]1CNCC[C@H]1Nc1nccc2cc(C)c(=O)[nH]c12 |r|
BDBM50560182 Cc1cc2ccnc(N[C@@H]3CCNC[C@H]3C(=O)NC3CCOCC3)c2[nH]c1=O |r|
BDBM50560183 Cc1cc2ccnc(N[C@@H]3CCNC[C@H]3C(=O)N[C@@H]3CCCOC3)c2[nH]c1=O |r|
BDBM50560184 Cc1cc2ccnc(N[C@@H]3CCNC[C@H]3C(=O)N[C@H]3CCCOC3)c2[nH]c1=O |r|
BDBM50560185 CO[C@@H](C)CNC(=O)[C@@H]1CNCC[C@H]1Nc1nccc2cc(C)c(=O)[nH]c12 |r|
BDBM50572121 Cc1cncc(c1)-c1cnc(NC2CCN(CCO)CC2)c2[nH]c(=O)c(C)cc12
BDBM50572122 Cc1cncc(c1)-c1cnc(NC2CCN(CCN)CC2)c2[nH]c(=O)c(C)cc12
BDBM50572123 Cc1cncc(c1)-c1cnc(NC2CCN(CCCN)CC2)c2[nH]c(=O)c(C)cc12
BDBM50572124 Cc1cccc(c1)-c1cnc(NC2CCN(CCCN)CC2)c2[nH]c(=O)c(C)cc12
BDBM50572125 Cc1cc2c(cnc(NC3CCN(CCCN)CC3)c2[nH]c1=O)C1CCCCC1
BDBM50572126 Cc1cc2c(cnc(NC3CCN(CCCN)CC3)c2[nH]c1=O)C1CCOCC1
BDBM50572127 Cc1cc2c(cnc(NC3CCN(CCCN)CC3)c2[nH]c1=O)C1=CCOCC1 |t:26|
BDBM50572129 Cc1cc2c(cnc(NC3CCN(CCCN)CC3)c2[nH]c1=O)-c1cncc(CO)c1
BDBM50572120 CN1CCC(CC1)Nc1ncc(-c2cncc(C)c2)c2cc(C)c(=O)[nH]c12
BDBM50584941 [H][C@]12Cc3ccccc3[C@]([H])(CNC1=O)N2C(=O)c1cc(NC2CCN(C)CC2)c2nnc(C)n2n1 |r,THB:16:15:11.12.13:3.8.2|
BDBM50584942 [H][C@]12Cc3ccccc3[C@]([H])(CNC1=O)N2C(=O)c1cn2c(C)nnc2c(NC2CCN(C)CC2)n1 |r,THB:16:15:11.12.13:3.8.2|
BDBM50584945 [H][C@]12Cc3ccccc3[C@]([H])([C@H](NC1=O)C(C)C)N2C(=O)c1cc(NCCCN2CCC(F)(F)CC2)c2nnc(C)n2n1 |r,THB:19:18:11.12.13:3.8.2|
BDBM50584943 [H][C@]12Cc3ccccc3[C@]([H])(CNC1=O)N2C(=O)c1cc(NCCCN2CCCC2)c2nnc(C)n2n1 |r,THB:16:15:11.12.13:3.8.2|
BDBM50584944 [H][C@]12Cc3ccccc3[C@]([H])([C@H](NC1=O)C(C)C)N2C(=O)c1cc(NCCCN2CCCC2)c2nnc(C)n2n1 |r,THB:19:18:11.12.13:3.8.2|
BDBM50584947 CC1=C(C#N)c2nc(N)c(C#N)c(C)c2\C1=C/c1ccc(o1)-c1cc(ccc1Cl)C(O)=O |c:1|
BDBM50584929 [H][C@]12Cc3ccccc3[C@]([H])(CNC1=O)N2C(=O)c1cc(N)c(=O)n(C)c1 |r,THB:16:15:3.8.2:13.12.11|
BDBM50584930 [H][C@]12Cc3ccccc3[C@]([H])(CNC1=O)N2C(=O)c1cc(NC)c(=O)n(C)c1 |THB:16:15:11.12.13:3.8.2|
BDBM50584931 [H][C@]12Cc3ccccc3[C@]([H])(CNC1=O)N2C(=O)c1cn(C)c(=O)c2[nH]ccc12 |r,THB:16:15:11.12.13:3.8.2|
BDBM50584932 [H][C@]12Cc3ccccc3[C@]([H])(CNC1=O)N2C(=O)c1cc(OC)c2[nH]nc(C)c2c1 |r,THB:16:15:11.12.13:3.8.2|
BDBM50584933 [H][C@]12Cc3ccccc3[C@]([H])(CNC1=O)N2C(=O)c1cc(N)c2nnc(C)n2c1 |THB:16:15:11.12.13:3.8.2|
BDBM50584936 [H][C@]12Cc3ccccc3[C@]([H])([C@@H](C)NC1=O)N2C(=O)c1cn(C)c(=O)c2[nH]c3ccccc3c12 |r,THB:17:16:11.13.14:3.8.2|
BDBM50584937 [H][C@]12Cc3ccccc3[C@]([H])([C@H](NC1=O)C(C)C)N2C(=O)c1cn(C)c(=O)c2[nH]c3ccccc3c12 |r,THB:19:18:11.12.13:3.8.2|
BDBM50584938 [H][C@]12Cc3ccccc3[C@]([H])([C@@H](C)NC1=O)N2C(=O)c1cn(C)c(=O)c2[nH]c3ccc(OC(F)(F)F)cc3c12 |r,THB:17:16:11.13.14:3.8.2|
BDBM50584926 COc1cc(cc(OC)c1O)C(=O)N1C2Cc3ccccc3C1CNC2=O |THB:11:13:16.21.15:25.24.23|
BDBM50584927 [H][C@]12Cc3ccccc3[C@]([H])(CNC1=O)N2C(=O)c1cc(OC)c(O)c(OC)c1 |r,THB:16:15:3.8.2:13.12.11|
BDBM50584928 [H][C@]12Cc3ccccc3[C@]([H])(CNC1=O)N2C(=O)c1c[nH]c(=O)c(C)c1 |r,THB:16:15:3.8.2:13.12.11|
BDBM50584939 [H][C@]12Cc3ccccc3[C@]([H])(CNC1=O)N2C(=O)c1cc(N)c2nnc(C)n2n1 |r,THB:16:15:11.12.13:3.8.2|
BDBM50584934 [H][C@]12Cc3ccccc3[C@]([H])(CN(C)C1=O)N2C(=O)c1cn(C)c(=O)c2[nH]ccc12 |r,THB:17:16:11.12.14:3.8.2|
BDBM50584935 [H][C@]12Cc3ccccc3[C@]([H])(CNC1=O)N2C(=O)c1cn(C)c(=O)c2[nH]c3ccccc3c12 |r,THB:16:15:11.12.13:3.8.2|
BDBM50584946 [H][C@]12Cc3ccccc3[C@]([H])([C@H](NC1=O)C(C)C)N2C(=O)c1cc(NC2CCN(CC(C)(F)F)CC2)c2nnc(C)n2n1 |r,THB:19:18:11.12.13:3.8.2|
BDBM50584925 [H][C@]12Cc3ccccc3[C@]([H])([C@H](NC1=O)C(C)C)N2C(=O)c1cc(NC2CCN(CC(C)(C)F)CC2)c2nnc(C)n2n1 |r,THB:19:18:3.8.2:13.12.11|
BDBM50584940 [H][C@]12Cc3ccccc3[C@]([H])(CNC1=O)N2C(=O)c1cc(NC2CCN(C)CC2)c2nnc(C)n2c1 |r,THB:16:15:11.12.13:3.8.2|
CHEMBL5274345 CN1CCNc2c1ccn(C)c2=O
CHEMBL5285969 Cn1cccc(NCC2CCNCC2)c1=O
CHEMBL5286790 Cn1ccc(NCc2ccccn2)c(N)c1=O
CHEMBL5279678 Cn1cc2NC(=O)C(C)(C)c2cc1=O
CHEMBL5284806 Cn1cc(Br)cc(N)c1=O
CHEMBL5282240 COc1cc(ccc1-c1cn(C\C=C\C)c(=O)c2[nH]ccc12)C(C)(C)O
CHEMBL5270178 C\C=C\Cn1cc(-c2ccc(cc2)C(=O)N2CCOCC2)c2cc[nH]c2c1=O