291 SMILES Strings for Mitogen-activated protein kinase 6

Compound Name
SMILES String
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl
CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1
CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-12.18,1.86,;-10.84,1.09,;-9.51,1.86,;-9.51,3.4,;-8.18,4.17,;-6.84,3.4,;-6.84,1.86,;-5.51,1.08,;-4.18,1.85,;-4.18,3.39,;-2.84,4.16,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,;-.18,1.09,;-.18,-.45,;-1.51,1.86,;-2.84,1.08,;-8.18,1.08,)|
Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F
CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N
CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1 |(-1.69,6.87,;-1.69,5.33,;-.36,4.56,;-.36,3.02,;-1.69,2.25,;-1.69,.71,;-3.03,-.06,;-3.03,-1.6,;-4.36,-2.37,;-5.75,-1.54,;-7.08,-2.31,;-7.08,-3.85,;-5.75,-4.62,;-4.42,-3.85,;-5.75,-6.16,;-7.08,-6.93,;-8.42,-6.16,;-8.42,-4.62,;-9.75,-3.85,;-8.42,-1.54,;-9.75,-2.31,;-8.42,,;-7.08,.77,;-5.75,,;-4.36,.71,;-3.03,3.02,;-4.36,2.25,;-3.03,4.56,)|
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12
Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)n[nH]c2c1
CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1
Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1
CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1
CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
Cn1nccc1Nc1nccc(n1)-c1ccn([C@H](CO)c2ccc(Cl)c(F)c2)c(=O)c1 |r|
NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1
Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
Nc1n[nH]c2nnc(cc12)-c1c(nn2ccccc12)-c1ccccc1
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|
C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |r|
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r|
CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
Cn1cc(C2=C(C(=O)NC2=O)c2cccc(NCC(O)CO)c2)c2cc(F)ccc12 |t:4|
COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C
COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nc(cs3)-c3cccnc3)c2)CC1
O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1
Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO
CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r|
COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|
OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
CS(=O)(=O)CCCOc1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCC(O)CC2)n1 |r,wU:23.24,wD:26.31,(28.71,-17.43,;28.01,-18.78,;27.59,-20.26,;29.41,-19.4,;26.53,-18.36,;26.13,-16.88,;24.65,-16.47,;24.27,-14.99,;22.78,-14.58,;21.71,-15.67,;20.2,-15.25,;19.81,-13.8,;20.9,-12.71,;20.81,-11.17,;22.23,-10.62,;23.2,-11.81,;22.38,-13.1,;19.48,-10.41,;19.47,-8.86,;18.15,-8.1,;16.81,-8.87,;16.81,-10.41,;15.47,-11.19,;14.13,-10.42,;12.8,-11.2,;11.46,-10.44,;11.44,-8.89,;12.79,-8.11,;14.12,-8.88,;10.09,-8.13,;10.08,-6.58,;8.76,-8.89,;7.43,-8.12,;6.1,-8.9,;6.1,-10.44,;4.77,-11.21,;7.43,-11.21,;8.76,-10.44,;18.15,-11.18,)|
COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC
O=C(CN1CC[C@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1 |r|
COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1
Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
CC(C)C[C@@H]1CN(C)c2cc(cc3nnc1n23)-c1ccnc(Nc2ccnn2C)c1 |r|
Cn1nccc1Nc1nccc(n1)-c1cc2OCC[C@@H](Oc3ccc(F)cc3)c3nnc(c1)n23 |r|
CC(C)C[C@H]1N(C)C(=O)N(C)c2cc(cc3nnc1n23)-c1ccnc(Nc2ccnn2C)n1 |r|
Cn1nccc1Nc1nccc(n1)-c1cc2NCC(Cc3ccc(F)cc3)c3nnc(c1)n23
COc1ccc(C[C@@H]2COc3cc(cc4nnc2n34)-c2ccnc(Nc3ccnn3C)n2)cc1 |r|
Cn1nccc1Nc1nccc(n1)-c1cc2OC[C@@H](Cc3ccc(F)c(F)c3)c3nnc(c1)n23 |r|
CC(C)C[C@@H]1CCOc2cc(cc3nnc1n23)-c1ccnc(Nc2ccnn2C)n1 |r|
Cc1csc(CC2CCOc3cc(cc4nnc2n34)-c2ccnc(Nc3ccnn3C)n2)n1
Clc1cnn(C[C@@H]2CCOc3cc(cc4nnc2n34)-c2ccnc(NC3CCOCC3)n2)c1 |r|
CN1c2cc(cc3nnc([C@H](Cc4ccc(Cl)cc4)CC1=O)n23)-c1ccnc(Nc2ccnn2C)n1 |r|
CC(C)C[C@H]1N(C)C(=O)Nc2cc(cc3nnc1n23)-c1ccnc(Nc2ccnn2C)n1 |r|
COc1ccc(C[C@@H]2CNc3cc(cc4nnc2n34)-c2ccnc(Nc3ccnn3C)n2)cn1 |r|
CC(C)C[C@H]1NC(=O)N(C)c2cc(cc3nnc1n23)-c1ccnc(Nc2ccnn2C)c1 |r|
COc1ccc(C[C@H]2NC(=O)N(C)c3cc(cc4nnc2n34)-c2ccnc(Nc3ccnn3C)c2)cc1 |r|
Cn1nccc1Nc1cc(ccn1)-c1cc2OC[C@@H](Cc3ccc(F)c(F)c3)c3nnc(c1)n23 |r|
Cn1nccc1Nc1nccc(n1)-c1cc2OCC[C@@H](Cn3cc(cn3)C3CC3)c3nnc(c1)n23 |r|
Cn1nccc1Nc1cc(ccn1)-c1cc2OC[C@@H](Cc3ccc(F)cc3)c3nnc(c1)n23 |r|
Cn1nccc1Nc1nccc(n1)-c1cc2OCCC(Oc3ccc(F)c(F)c3)c3nnc(c1)n23
COc1cccc(C[C@@H]2CNc3cc(cc4nnc2n34)-c2ccnc(Nc3ccnn3C)n2)n1 |r|
Cn1nccc1Nc1nccc(n1)-c1cc2OCC[C@@H](COCc3ccccc3)c3nnc(c1)n23 |r|
COc1ccc(C[C@@H]2CCOc3cc(cc4nnc2n34)-c2ccnc(Nc3ccnn3C)n2)cc1F |r|
CN1c2cc(cc3nnc([C@H](Cc4ccccc4)CC1=O)n23)-c1ccnc(Nc2ccnn2C)c1 |r|
COc1ccc(C[C@@H]2CC(=O)N(C)c3cc(cc4nnc2n34)-c2ccnc(Nc3ccnn3C)n2)cc1 |r|
COc1ccc(C[C@@H]2CC(=O)N(C)c3cc(cc4nnc2n34)-c2ccnc(Nc3ccnn3C)c2)cc1 |r|
CCC[C@@H]1CC(=O)N(C)c2cc(cc3nnc1n23)-c1ccnc(Nc2ccnn2C)n1 |r|
CN1c2cc(cc3nnc([C@@H](CC1=O)C1CC1)n23)-c1ccnc(Nc2ccnn2C)n1 |r|
CC(C)C[C@@H]1CC(=O)N(C)c2cc(cc3nnc1n23)-c1ccnc(Nc2ccnn2C)n1 |r|
CC(C)[C@@H]1CC(=O)N(C)c2cc(cc3nnc1n23)-c1ccnc(Nc2ccnn2C)n1 |r|
CC(C)C1CC(=O)N(C)c2cc(cc3nnc1n23)-c1ccnc(Nc2ccnn2C)n1
CN1c2cc(cc3nnc([C@H](Cc4ccc(F)cc4)CC1=O)n23)-c1ccnc(Nc2ccnn2C)c1 |r|
CN1c2cc(cc3nnc([C@H](CC(F)(F)F)CC1=O)n23)-c1ccnc(Nc2ccnn2C)n1 |r|
C[C@@H]1Oc2cc(cc3nnc([C@H]1Cc1ccccc1)n23)-c1ccnc(Nc2ccnn2C)n1 |r|
C[C@H]1Oc2cc(cc3nnc([C@@H]1Cc1ccccc1)n23)-c1ccnc(Nc2ccnn2C)n1 |r|
Cn1nccc1Nc1nccc(n1)-c1cc2OCCC(Cn3cc(cn3)C(F)(F)F)c3nnc(c1)n23
COc1ccc(C[C@@H]2CC(=O)N(C)c3cc(cc4nnc2n34)-c2ccnc(Nc3ccnn3C)c2)c(F)c1 |r|
CC(C)C[C@@H]1CC(=O)N(C)c2cc(cc3nnc1n23)-c1ccnc(Nc2ccnn2C)c1 |r|
C[C@@H]1Oc2cc(cc3nnc([C@@H]1Cc1ccccc1)n23)-c1ccnc(Nc2ccnn2C)n1 |r|
C[C@H]1Oc2cc(cc3nnc([C@H]1Cc1ccccc1)n23)-c1ccnc(Nc2ccnn2C)n1 |r|
Cn1nccc1Nc1nccc(n1)-c1cc2OCC[C@@H](Oc3cncc(Cl)c3)c3nnc(c1)n23 |r|
Cn1nccc1Nc1cc(ccn1)-c1cc2OCC[C@@H](Oc3cncc(Cl)c3)c3nnc(c1)n23 |r|
COc1cccc(CC2COc3cc(cc4nnc2n34)-c2ccnc(Nc3ccnn3C)n2)c1
Cn1nccc1Nc1nccc(n1)-c1cc2OC[C@@H](Cc3ccc(F)c(Cl)c3)c3nnc(c1)n23 |r|
Cn1nccc1Nc1cc(ccn1)-c1cc2OCC(Cc3ccc(F)c(Cl)c3)c3nnc(c1)n23
CN1c2cc(cc3nnc([C@H](Cc4ccc(Cl)cn4)CC1=O)n23)-c1ccnc(Nc2ccnn2C)n1 |r|
COc1ccc(C[C@@H]2CC(=O)N(C)c3cc(cc4nnc2n34)-c2ccnc(Nc3ccnn3C)n2)c(F)c1 |r|
Cn1nccc1Nc1nccc(n1)-c1cc2NC[C@H](c3nnc(c1)n23)c1ccccc1 |r|
Cn1nccc1Nc1nccc(n1)-c1cc2NC[C@@H](c3nnc(c1)n23)c1ccccc1 |r|
Cn1nccc1Nc1nccc(n1)-c1cc2NC[C@@H](Cc3ccccc3)c3nnc(c1)n23 |r|
Cn1nccc1Nc1nccc(n1)-c1cc2NC[C@H](Cc3ccccc3)c3nnc(c1)n23 |r|
CN1C[C@@H](Cc2ccc(F)cc2)c2nnc3cc(cc1n23)-c1ccnc(Nc2ccnn2C)n1 |r|
CN1c2cc(cc3nnc([C@H](CC(F)(F)F)CC1=O)n23)-c1ccnc(Nc2ccnn2C)c1 |r|
CC(C)[C@@H]1CC(=O)N(C)c2cc(cc3nnc1n23)-c1ccnc(Nc2ccnn2C)c1 |r|
Cn1nccc1Nc1nccc(n1)-c1cc2OC[C@@H](Cc3cccc(Cl)c3)c3nnc(c1)n23 |r|
Cn1nccc1Nc1cc(ccn1)-c1cc2OCC[C@@H](Cn3cc(cn3)C(F)(F)F)c3nnc(c1)n23 |r|
Cn1nccc1Nc1cc(ccn1)-c1cc2NC[C@@H](c3nnc(c1)n23)c1ccccc1 |r|
Cn1nccc1Nc1cc(ccn1)-c1cc2NC[C@H](c3nnc(c1)n23)c1ccccc1 |r|
Cn1nccc1Nc1nccc(n1)-c1cc2NC[C@H](Cc3ccc(Cl)cc3)c3nnc(c1)n23 |r|
Cn1nccc1Nc1nccc(n1)-c1cc2NC[C@@H](Cc3ccc(Cl)cc3)c3nnc(c1)n23 |r|
CN1c2cc(cc3nnc([C@@H](Cc4ccc(Cl)cc4)NC1=O)n23)-c1ccnc(Nc2ccnn2C)n1 |r|
Cn1nccc1Nc1cc(ccn1)-c1cc2NC[C@H](Cc3ccccc3)c3nnc(c1)n23 |r|
Cn1nccc1Nc1cc(ccn1)-c1cc2NC[C@@H](Cc3ccccc3)c3nnc(c1)n23 |r|
CN1c2cc(cc3nnc([C@@H](Cc4ccc(F)cc4)NC1=O)n23)-c1ccnc(Nc2ccnn2C)n1 |r|
Cn1nccc1Nc1nccc(n1)-c1cc2OCC[C@@H](Cc3ccc(Cl)cc3)c3nnc(c1)n23 |r|
Cn1nccc1Nc1cc(ccn1)-c1cc2OC[C@@H](Cc3ccccc3)c3nnc(c1)n23 |r|
Cn1nccc1Nc1nccc(n1)-c1cc2OCC[C@@H](Oc3ccccc3)c3nnc(c1)n23 |r|
Cn1nccc1Nc1nccc(n1)-c1cc2OCC[C@@H](Oc3cncc(F)c3)c3nnc(c1)n23 |r|
Cn1nccc1C[C@@H]1CCOc2cc(cc3nnc1n23)-c1ccnc(Nc2ccnn2C)n1 |r|
Cn1nccc1Nc1cc(ccn1)-c1cc2NC[C@H](Cc3ccc(Cl)cc3)c3ncc(c1)n23 |r|
Cn1nccc1Nc1cc(ccn1)-c1cc2NC[C@@H](Cc3ccc(Cl)cc3)c3ncc(c1)n23 |r|
CN1C[C@H](Cc2ccccc2)c2nnc3cc(cc1n23)-c1ccnc(Nc2ccnn2C)n1 |r|
CN1C[C@@H](Cc2ccccc2)c2nnc3cc(cc1n23)-c1ccnc(Nc2ccnn2C)n1 |r|
CC(C)C[C@H]1CNc2cc(cc3nnc1n23)-c1ccnc(Nc2ccnn2C)n1 |r|
CC(C)C[C@@H]1CNc2cc(cc3nnc1n23)-c1ccnc(Nc2ccnn2C)n1 |r|
COc1ccc(C[C@H]2CNc3cc(cc4nnc2n34)-c2ccnc(Nc3ccnn3C)n2)cc1 |r|
CN1c2cc(cc3nnc([C@@H](Cc4cccc(F)c4)NC1=O)n23)-c1ccnc(Nc2ccnn2C)n1 |r|
CN1c2cc(cc3nnc([C@H](Cc4ccc(Cl)cc4)CC1=O)n23)-c1ccnc(Nc2ccnn2C)c1 |r|
Cn1nccc1Nc1nccc(n1)-c1cc2OC[C@@H](Cc3ccc(Cl)cc3)c3nnc(c1)n23 |r|
Cn1nccc1Nc1nccc(n1)-c1cc2OCC[C@@H](Cn3cc(Cl)cn3)c3nnc(c1)n23 |r|
Cc1cc(C[C@@H]2CCOc3cc(cc4nnc2n34)-c2ccnc(Nc3ccnn3C)n2)on1 |r|
CN1c2cc(cc3nnc([C@H](Cc4ccc(Cl)cn4)CC1=O)n23)-c1ccnc(Nc2ccnn2C)c1 |r|
COc1cccc(C[C@@H]2COc3cc(cc4nnc2n34)-c2ccnc(Nc3ccnn3C)c2)c1 |r|
COc1ccc(C[C@H]2CNc3cc(cc4nnc2n34)-c2ccnc(Nc3ccnn3C)n2)cc1F |r|
COc1ccc(C[C@@H]2CNc3cc(cc4nnc2n34)-c2ccnc(Nc3ccnn3C)n2)cc1F |r|
CN1C[C@@H](Cc2ccc(Cl)cc2)c2nnc3cc(cc1n23)-c1ccnc(Nc2ccnn2C)c1 |r|
Cn1nccc1Nc1nccc(n1)-c1cc2NC[C@@H](Cc3ccc(Cl)c(F)c3)c3nnc(c1)n23 |r|
COc1ncccc1C[C@@H]1CN(C)c2cc(cc3nnc1n23)-c1ccnc(Nc2ccnn2C)n1 |r|
Cn1nccc1Nc1nccc(n1)-c1cc2OC[C@@H](Cc3ccc(F)cc3)c3nnc(c1)n23 |r|
CC(C)C[C@@H]1COc2cc(cc3nnc1n23)-c1ccnc(Nc2ccnn2C)n1 |r|
COc1ccc(C[C@@H]2COc3cc(cc4nnc2n34)-c2ccnc(Nc3ccnn3C)n2)cc1F |r|
CCC[C@@H]1COc2cc(cc3nnc1n23)-c1ccnc(Nc2ccnn2C)n1 |r|
Cn1nccc1Nc1nccc(n1)-c1cc2OCC[C@@H](CCC(F)(F)F)c3nnc(c1)n23 |r|
Cn1nccc1Nc1nccc(n1)-c1cc2OC[C@@H](Cc3ccccc3)c3nnc(c1)n23 |r|
Cn1nccc1Nc1nccc(n1)-c1cc2SC[C@@H](Cc3ccccc3)c3nnc(c1)n23 |r|
CCN1C[C@@H](Cc2ccccc2)c2nnc3cc(cc1n23)-c1ccnc(Nc2ccnn2C)n1 |r|
Cn1nccc1Nc1cc(ccn1)-c1cc2OCC[C@@H](Cn3cc(Cl)cn3)c3nnc(c1)n23 |r|
COc1ccc(C[C@@H]2COc3cc(cc4nnc2n34)-c2ccnc(Nc3ccnn3C)c2)cc1F |r|
CCC[C@@H]1CCOc2cc(cc3nnc1n23)-c1ccnc(Nc2ccnn2C)c1 |r|
CCC[C@@H]1CCOc2cc(cc3nnc1n23)-c1ccnc(Nc2ccnn2C)n1 |r|
Cn1nccc1Nc1nccc(n1)-c1cc2OCC[C@@H](CC(F)(F)F)c3nnc(c1)n23 |r|
Cn1nccc1Nc1cc(ccn1)-c1cc2OCC[C@@H](Cc3ccccc3Cl)c3nnc(c1)n23 |r|
Cn1nccc1Nc1cc(ccn1)-c1cc2OC[C@@H](Cc3ccc(Cl)cc3)c3nnc(c1)n23 |r|
CN1c2cc(cc3nnc([C@@H](CC(F)(F)F)CC1=O)n23)-c1ccnc(Nc2ccnn2C)c1 |r|
CC(C)[C@H]1CC(=O)N(C)c2cc(cc3nnc1n23)-c1ccnc(Nc2ccnn2C)c1 |r|
Cn1nccc1Nc1nccc(n1)-c1cc2OC[C@H](Cc3cccc(Cl)c3)c3nnc(c1)n23 |r|
Cn1nccc1Nc1cc(ccn1)-c1cc2OCC[C@H](Cn3cc(cn3)C(F)(F)F)c3nnc(c1)n23 |r|
Cn1nccc1Nc1nccc(n1)-c1cc2OCC[C@H](Oc3ccccc3)c3nnc(c1)n23 |r|
Cn1nccc1C[C@H]1CCOc2cc(cc3nnc1n23)-c1ccnc(Nc2ccnn2C)n1 |r|
Cc1cc(C[C@H]2CCOc3cc(cc4nnc2n34)-c2ccnc(Nc3ccnn3C)n2)on1 |r|
COc1cccc(C[C@H]2COc3cc(cc4nnc2n34)-c2ccnc(Nc3ccnn3C)c2)c1 |r|
CCC[C@H]1COc2cc(cc3nnc1n23)-c1ccnc(Nc2ccnn2C)n1 |r|
Cn1nccc1Nc1nccc(n1)-c1cc2OCC[C@H](CCC(F)(F)F)c3nnc(c1)n23 |r|
CCC[C@H]1CCOc2cc(cc3nnc1n23)-c1ccnc(Nc2ccnn2C)c1 |r|
CCC[C@H]1CCOc2cc(cc3nnc1n23)-c1ccnc(Nc2ccnn2C)n1 |r|
Cn1nccc1Nc1nccc(n1)-c1cc2OCC[C@H](CC(F)(F)F)c3nnc(c1)n23 |r|
CC(C)C[C@H]1CCOc2cc(cc3nnc1n23)-c1ccnc(Nc2ccnn2C)n1 |r|
Clc1cnn(C[C@H]2CCOc3cc(cc4nnc2n34)-c2ccnc(NC3CCOCC3)n2)c1 |r|
Cn1nccc1Nc1nccc(n1)-c1cc2OCC[C@H](Oc3ccc(F)c(F)c3)c3nnc(c1)n23 |r|
COc1ccc(C[C@@H]2CNc3cc(cc4nnc2n34)-c2ccnc(Nc3ccnn3C)n2)cc1 |r|
CN1C[C@H](Cc2ccc(Cl)cc2)c2nnc3cc(cc1n23)-c1ccnc(Nc2ccnn2C)c1 |r|
Cn1nccc1Nc1nccc(n1)-c1cc2NC[C@H](Cc3ccc(Cl)c(F)c3)c3nnc(c1)n23 |r|
Cn1nccc1Nc1nccc(n1)-c1cc2OC[C@H](Cc3ccccc3)c3nnc(c1)n23 |r|
Cn1nccc1Nc1nccc(n1)-c1cc2SC[C@H](Cc3ccccc3)c3nnc(c1)n23 |r|
CCN1C[C@H](Cc2ccccc2)c2nnc3cc(cc1n23)-c1ccnc(Nc2ccnn2C)n1 |r|
COc1ccc(C[C@@H]2CN(C)c3cc(cc4nnc2n34)-c2ccnc(Nc3ccnn3C)c2)cc1 |r|
COc1ccc(C[C@H]2CN(C)c3cc(cc4nnc2n34)-c2ccnc(Nc3ccnn3C)c2)cc1 |r|
CC(C)C[C@H]1CN(C)c2cc(cc3nnc1n23)-c1ccnc(Nc2ccnn2C)c1 |r|
Cn1nccc1Nc1nccc(n1)-c1cc2NC[C@H](Cc3ccc(F)cc3)c3nnc(c1)n23 |r|
CN1c2cc(cc3nnc([C@@H](Cc4ccc(Cl)cc4)CC1=O)n23)-c1ccnc(Nc2ccnn2C)n1 |r|
COc1ccc(C[C@H]2CNc3cc(cc4nnc2n34)-c2ccnc(Nc3ccnn3C)n2)cn1 |r|
COc1cccc(C[C@H]2CNc3cc(cc4nnc2n34)-c2ccnc(Nc3ccnn3C)n2)n1 |r|
Cn1nccc1Nc1nccc(n1)-c1cc2OCC[C@H](COCc3ccccc3)c3nnc(c1)n23 |r|
CN1C[C@H](Cc2ccc(F)cc2)c2nnc3cc(cc1n23)-c1ccnc(Nc2ccnn2C)n1 |r|
Cn1nccc1Nc1nccc(n1)-c1cc2OCC[C@H](Cc3ccc(Cl)cc3)c3nnc(c1)n23 |r|
Cn1nccc1Nc1cc(ccn1)-c1cc2OC[C@H](Cc3ccccc3)c3nnc(c1)n23 |r|
CN1c2cc(cc3nnc([C@@H](Cc4ccc(Cl)cc4)CC1=O)n23)-c1ccnc(Nc2ccnn2C)c1 |r|
Cn1nccc1Nc1nccc(n1)-c1cc2OC[C@H](Cc3ccc(Cl)cc3)c3nnc(c1)n23 |r|
COc1ncccc1C[C@H]1CN(C)c2cc(cc3nnc1n23)-c1ccnc(Nc2ccnn2C)n1 |r|
Cn1nccc1Nc1nccc(n1)-c1cc2OC[C@H](Cc3ccc(F)cc3)c3nnc(c1)n23 |r|
CC(C)C[C@H]1COc2cc(cc3nnc1n23)-c1ccnc(Nc2ccnn2C)n1 |r|
COc1ccc(C[C@H]2COc3cc(cc4nnc2n34)-c2ccnc(Nc3ccnn3C)n2)cc1F |r|
COc1ccc(C[C@H]2COc3cc(cc4nnc2n34)-c2ccnc(Nc3ccnn3C)c2)cc1F |r|
COc1ccc(C[C@H]2COc3cc(cc4nnc2n34)-c2ccnc(Nc3ccnn3C)n2)cc1 |r|
CCC(C)C[C@H]1COc2cc(cc3nnc1n23)-c1ccnc(Nc2ccnn2C)n1 |r|
CCC(C)C[C@@H]1COc2cc(cc3nnc1n23)-c1ccnc(Nc2ccnn2C)n1 |r|
Cn1nccc1Nc1nccc(n1)-c1cc2OC[C@H](Cc3ccc(F)c(F)c3)c3nnc(c1)n23 |r|
Cn1nccc1Nc1cc(ccn1)-c1cc2OC[C@H](Cc3ccc(F)c(F)c3)c3nnc(c1)n23 |r|
Cn1nccc1Nc1nccc(n1)-c1cc2OCC[C@H](Cn3cc(cn3)C3CC3)c3nnc(c1)n23 |r|
Cn1nccc1Nc1cc(ccn1)-c1cc2OC[C@H](Cc3ccc(F)cc3)c3nnc(c1)n23 |r|
Cn1nccc1Nc1nccc(n1)-c1cc2OCC[C@H](Cc3ccc(F)cc3)c3nnc(c1)n23 |r|
COc1ccc(C[C@H]2CCOc3cc(cc4nnc2n34)-c2ccnc(Nc3ccnn3C)n2)cc1F |r|
CN1c2cc(cc3nnc([C@@H](Cc4ccccc4)CC1=O)n23)-c1ccnc(Nc2ccnn2C)c1 |r|
COc1ccc(C[C@H]2CC(=O)N(C)c3cc(cc4nnc2n34)-c2ccnc(Nc3ccnn3C)n2)cc1 |r|
COc1ccc(C[C@H]2CC(=O)N(C)c3cc(cc4nnc2n34)-c2ccnc(Nc3ccnn3C)c2)cc1 |r|
CCC[C@H]1CC(=O)N(C)c2cc(cc3nnc1n23)-c1ccnc(Nc2ccnn2C)n1 |r|
CN1c2cc(cc3nnc([C@H](CC1=O)C1CC1)n23)-c1ccnc(Nc2ccnn2C)n1 |r|
CN1c2cc(cc3nnc([C@@H](Cc4ccccc4)CC1=O)n23)-c1ccnc(Nc2ccnn2C)n1 |r|
CC(C)C[C@H]1CC(=O)N(C)c2cc(cc3nnc1n23)-c1ccnc(Nc2ccnn2C)n1 |r|
CN1c2cc(cc3nnc([C@@H](Cc4ccc(F)cc4)CC1=O)n23)-c1ccnc(Nc2ccnn2C)c1 |r|
CN1c2cc(cc3nnc([C@@H](CC(F)(F)F)CC1=O)n23)-c1ccnc(Nc2ccnn2C)n1 |r|
COc1ccc(C[C@H]2CC(=O)N(C)c3cc(cc4nnc2n34)-c2ccnc(Nc3ccnn3C)c2)c(F)c1 |r|
CC(C)C[C@H]1CC(=O)N(C)c2cc(cc3nnc1n23)-c1ccnc(Nc2ccnn2C)c1 |r|
Cn1nccc1Nc1nccc(n1)-c1cc2OCC[C@H](Oc3cncc(Cl)c3)c3nnc(c1)n23 |r|
Cn1nccc1Nc1cc(ccn1)-c1cc2OCC[C@H](Oc3cncc(Cl)c3)c3nnc(c1)n23 |r|
CN1c2cc(cc3nnc([C@@H](Cc4ccc(F)cc4)CC1=O)n23)-c1ccnc(Nc2ccnn2C)n1 |r|
Cn1nccc1Nc1nccc(n1)-c1cc2OC[C@H](Cc3ccc(F)c(Cl)c3)c3nnc(c1)n23 |r|
CN1c2cc(cc3nnc([C@@H](Cc4ccc(Cl)cn4)CC1=O)n23)-c1ccnc(Nc2ccnn2C)n1 |r|
COc1ccc(C[C@H]2CC(=O)N(C)c3cc(cc4nnc2n34)-c2ccnc(Nc3ccnn3C)n2)c(F)c1 |r|
Cn1nccc1Nc1cc(ccn1)-c1cc2OC[C@H](Cc3ccc(Cl)cc3)c3nnc(c1)n23 |r|
Cn1nccc1Nc1nccc(n1)-c1cc2OCC[C@H](Cn3cc(Cl)cn3)c3nnc(c1)n23 |r|
Cn1nccc1Nc1nccc(n1)-c1cc2OCC[C@H](Oc3ccc(F)cc3)c3nnc(c1)n23 |r|
Cn1nccc1Nc1cc(ccn1)-c1cc2OCC[C@H](Cc3ccccc3Cl)c3nnc(c1)n23 |r|
Clc1ccc(cc1Cl)C(=O)Nc1ccc2cc(ccc2c1)C(=O)Nc1nccs1
COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1
COc1ccc(cc1)-n1nnc2cnc(N[C@H]3CC[C@@H](CC3)C(N)=O)nc12 |r,wU:19.23,wD:16.16,(44.83,-29.2,;43.32,-29.53,;42.86,-31,;43.9,-32.14,;43.43,-33.6,;41.92,-33.92,;40.89,-32.8,;41.35,-31.33,;41.46,-35.39,;42.37,-36.63,;41.47,-37.88,;40,-37.41,;38.66,-38.19,;37.33,-37.42,;37.33,-35.88,;36,-35.11,;36,-33.57,;37.33,-32.8,;37.34,-31.27,;36.01,-30.49,;34.67,-31.26,;34.66,-32.81,;36.01,-28.96,;37.35,-28.19,;34.68,-28.18,;38.66,-35.11,;39.99,-35.87,)|
COc1ccc(cc1)-n1nnc2cnc(N[C@H]3CC[C@H](CN)CC3)nc12 |r,wU:19.20,wD:16.16,(33.12,-45.27,;31.61,-45.6,;31.15,-47.06,;32.19,-48.2,;31.72,-49.67,;30.21,-49.99,;29.18,-48.86,;29.64,-47.4,;29.75,-51.45,;30.66,-52.7,;29.76,-53.95,;28.29,-53.48,;26.95,-54.26,;25.62,-53.49,;25.62,-51.95,;24.29,-51.18,;24.29,-49.64,;25.62,-48.87,;25.63,-47.34,;24.3,-46.56,;24.3,-45.02,;25.64,-44.26,;22.96,-47.33,;22.95,-48.87,;26.95,-51.18,;28.28,-51.94,)|
COc1ccc(cc1)-n1nnc2cnc(N[C@@H]3CC[C@@H](N)C3)nc12 |r|
CN1CCC(CC1)n1cc(Nc2ncc3nnn(-c4ccc(F)cc4C#N)c3n2)cn1
COc1ccc(cc1)-n1nnc2cnc(N[C@H]3CC[C@H](CO)CC3)nc12 |r,wU:19.20,wD:16.16,(62.74,-29.24,;61.24,-29.57,;60.77,-31.04,;61.81,-32.18,;61.34,-33.65,;59.83,-33.96,;58.8,-32.84,;59.26,-31.38,;59.37,-35.43,;60.28,-36.67,;59.38,-37.93,;57.91,-37.46,;56.57,-38.24,;55.24,-37.47,;55.24,-35.92,;53.91,-35.15,;53.91,-33.61,;55.24,-32.85,;55.25,-31.32,;53.92,-30.54,;53.92,-29,;52.59,-28.23,;52.58,-31.31,;52.58,-32.85,;56.57,-35.15,;57.9,-35.92,)|
COc1ccc(cc1)-n1nnc2cnc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:19.20,wD:16.16,(16.13,-43.94,;14.62,-44.27,;14.16,-45.74,;15.2,-46.88,;14.73,-48.34,;13.22,-48.66,;12.19,-47.54,;12.65,-46.07,;12.76,-50.13,;13.67,-51.37,;12.77,-52.62,;11.3,-52.15,;9.96,-52.93,;8.63,-52.16,;8.63,-50.62,;7.3,-49.85,;7.3,-48.31,;8.63,-47.55,;8.64,-46.01,;7.31,-45.24,;7.31,-43.7,;5.97,-46,;5.97,-47.55,;9.96,-49.85,;11.29,-50.61,)|
COc1ccc(cc1)-n1ncc2cnc(N[C@H]3CC[C@@H](N)C3)nc12 |r|
COc1ccc(cc1)-c1n[nH]c2cnc(N[C@@H]3CC[C@@H](N)C3)nc12 |r|
COc1ccc(cc1)-n1cnc2cnc(N[C@@H]3CC[C@@H](N)C3)nc12 |r|
COc1ccc(cc1)-n1nnc2cnc(N[C@H]3CC[C@H](N)C3)nc12 |r|
COc1ccc(cc1)-n1nnc2cnc(N[C@@H]3CC[C@H](N)C3)nc12 |r|
COc1ccc(cc1)-n1nnc2cnc(N[C@H]3CC[C@@H](N)C3)nc12 |r|
COc1ccc(cc1)-n1nnc2cnc(N[C@@H]3CCN(C3)c3ccncc3)nc12 |r|
CN1CCC(CC1)n1cc(Nc2ncc3nnn(-c4ccn(C)n4)c3n2)cn1
CCOc1ccc(cc1)-n1nnc2cnc(Nc3cnn(c3)C3CCN(C)CC3)nc12
COc1ccc(cc1)-n1nnc2cnc(N[C@@H]3CC[C@@H](N)C3)cc12 |r|
COc1ccc(cc1)-n1nnc2cnc(N[C@H]3CCN(C3)c3ccncc3)nc12 |r|
OC(=O)c1ccc(cc1)-c1n[nH]c2cc(F)ccc12
OC(=O)c1cccc(c1)-c1n[nH]c2ccccc12
Cc1cccc2[nH]nc(-c3ccc(O)cc3)c12
Oc1ccc(cc1)-c1n[nH]c2ccc(cc12)C(F)(F)F
OC(=O)c1ccc(cc1)-c1n[nH]c2ccc(cc12)C(F)(F)F
Cc1ccc2[nH]nc(-c3ccc(F)c(CO)c3)c2c1
Cc1ccc2[nH]nc(-c3ccc4OCOc4c3)c2c1
Cc1ccc2[nH]nc(-c3ccc(O)cc3)c2c1
Cc1ccc2[nH]nc(-c3ccc(cc3)C(N)=O)c2c1
Cc1ccc2[nH]nc(-c3ccc(cc3)C(O)=O)c2c1
OC(=O)c1ccc(cc1)-c1n[nH]c2cc(ccc12)C(F)(F)F
Fc1ccc2c(n[nH]c2c1)-c1ccc2OCOc2c1
Cn1nccc1Nc1nccc(n1)-c1cc2OCC[C@@H](Cn3cc(cn3)C(F)(F)F)c3nnc(c1)n23 |r|
Cn1nccc1Nc1nccc(n1)-c1cc2OCC[C@H](Oc3cncc(F)c3)c3nnc(c1)n23 |r|
CCC(C#N)[C@@H]1CCOc2cc(cc3nnc1n23)-c1ccnc(Nc2ccnn2C)n1 |r|
Cc1csc(C[C@H]2CCOc3cc(cc4nnc2n34)-c2ccnc(Nc3ccnn3C)n2)n1 |r|
CN1C[C@H](Cc2ccc(Cl)c(F)c2)c2nnc3cc(cc1n23)-c1ccnc(Nc2ccnn2C)n1 |r|
Cn1nccc1Nc1cc(ccn1)-c1cc2OCC[C@H](Cn3cc(Cl)cn3)c3nnc(c1)n23 |r|
COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1