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99 SMILES Strings for Cytochrome P450 3A5

Compound NameSMILES String
BDBM151585 CC(=O)N1CCN(CC1)c1ccc(OCC2COC(Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1
BDBM5445 CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
BDBM8610 [H][C@]1(COc2ccc(cc2)N2CCN(CC2)C(C)=O)CO[C@@](Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl |r|
BDBM39347 CCC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CCl |c:17,t:13|
BDBM50030448 CO[C@@H]1C[C@@H](CC[C@H]1O)\C=C(/C)[C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H]([C@H](C[C@H]2C)OC)[C@H](C[C@@H](C)C\C(C)=C\[C@@H](CC=C)C(=O)C[C@H](O)[C@H]1C)OC |r,t:45|
BDBM50061306 Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C |r|
BDBM50121977 COc1ccc(CCNCCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC
BDBM50123453 COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(=O)N1CCN(C)C[C@H]1C |r|
BDBM50310823 [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1c2ccoc2cc2oc(=O)ccc12
BDBM50318484 CCCCCc1cc(O)c([C@@H]2C=C(C)CC[C@H]2C(C)=C)c(O)c1 |r,t:11|
BDBM50364626 Brc1ccc(NC(=O)Nc2ccc(cc2)-c2ccnc3nc[nH]c23)cc1
BDBM50364627 Clc1ccccc1NC(=O)Nc1ccc(cc1)-c1ccnc2nc[nH]c12
BDBM50364628 Fc1cccc(NC(=O)Nc2ccc(cc2)-c2ccnc3nc[nH]c23)c1
BDBM50364629 Clc1cccc(NC(=O)Nc2ccc(cc2)-c2ccnc3nc[nH]c23)c1
BDBM50364630 Brc1cccc(NC(=O)Nc2ccc(cc2)-c2ccnc3nc[nH]c23)c1
BDBM50364631 O=C(Nc1ccccc1)Nc1ccc(cc1)-c1ccnc2nc[nH]c12
BDBM50364633 [O-][N+](=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ccnc3nc[nH]c23)c1
BDBM50364639 CCNC(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ccnc3nc[nH]c23)c1
BDBM50364641 CN(C)C(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ccnc3nc[nH]c23)c1
BDBM50364642 CCN(CC)C(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ccnc3nc[nH]c23)c1
BDBM50364644 O=C(Nc1ccc(cc1)-c1ccnc2nc[nH]c12)Nc1cccc(c1)C(=O)NC1CCCC1
BDBM50364645 O=C(Nc1ccc(cc1)-c1ccnc2nc[nH]c12)Nc1cccc(c1)C(=O)N1CCCCC1
BDBM50364646 O=C(Nc1ccc(cc1)-c1ccnc2nc[nH]c12)Nc1cccc(c1)C(=O)N1CCOCC1
BDBM50364647 CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ncnc3[nH]ccc23)c1
BDBM50364649 CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ncnc3[nH]cc(C)c23)c1
BDBM50364650 CCc1c[nH]c2ncnc(-c3ccc(NC(=O)Nc4cccc(c4)C(=O)NC(C)C)cc3)c12
BDBM50364651 CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ncnc3[nH]cc(Cl)c23)c1
BDBM50364653 CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ccncc2)c1
BDBM50364654 O=C(Nc1ccc(cc1)-c1ccc(cc1)C#N)Nc1ccc(cc1)-c1ccnc2nc[nH]c12
BDBM50364655 Oc1ccc(cc1)-c1ccc(NC(=O)Nc2ccc(cc2)-c2ccnc3nc[nH]c23)cc1
BDBM50364657 COc1cccc(c1)-c1ccc(NC(=O)Nc2ccc(cc2)-c2ccnc3nc[nH]c23)cc1
BDBM50364658 O=C(Nc1ccc(cc1)-c1ccnc2nc[nH]c12)Nc1ccc(cc1)-c1cccc2ccccc12
BDBM50364661 CC(C)N(C(C)C)C(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ccnc3nc[nH]c23)c1
BDBM50365396 NC(=O)CS(=O)Cc1ccccc1-c1ccc(Cl)cc1
BDBM50386200 NC(=O)CS(=O)Cc1ccccc1Oc1ccc(Cl)c(Cl)c1
BDBM520 CC(C)[C@H](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1
BDBM577 CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1 |r|
BDBM50435005 CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccccc1
BDBM50012905 CC(C)c1cc(Oc2c(Cl)cc(cc2Cl)-n2nc(C#N)c(=O)[nH]c2=O)n[nH]c1=O
BDBM50088503 Cc1ccc(cc1)-c1c(cnn1C)-c1nn(C)c2ncnc(N3CC[C@@H](C3)N3CCCCC3)c12 |r|
BDBM50081468 CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccc(O)cc1
BDBM189322 CCCCCCCCCCCC(=O)OCC(CCP(O)(=O)OCCNC(=O)c1ccc(Cn2c3nc(OCCOC)nc(N)c3[nH]c2=O)cc1)OC(=O)CCCCCCCCCCC
BDBM180052 FC(F)(F)C(OC(=O)N1CCN(Cc2ccc(cc2N2CCCC2)C(F)(F)F)CC1)C(F)(F)F
BDBM190404 CCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCCNC(=O)c1ccc(Cn2c3nc(OCCOC)nc(N)c3[nH]c2=O)cc1)OC(=O)CCCCCCCCCCC
BDBM50113979 CCn1c(nc2cnc(cc12)C1CC1)[C@@H](C)NS(=O)(=O)c1ccc(nc1)C#N |r|
BDBM50113980 CCn1c(nc2cnc(cc12)C(F)(F)F)[C@@H](C)NS(=O)(=O)c1ccc(nc1)C#N |r|
BDBM50113995 CCn1c(nc2ccc(cc12)C(F)(F)F)[C@@H](C)NS(=O)(=O)c1cccnc1 |r|
BDBM291687 Cc1ncccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
BDBM50265673 Cn1cc(cn1)S(=O)(=O)N1CCC2=Cc3c(C[C@@]2(C1)C(=O)c1cc(ccn1)C(F)(F)F)cnn3-c1ccc(F)cc1 |r,t:13|
BDBM50457692 C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccccc1F)S(C)(=O)=O)C(F)(F)F |r|
BDBM50457693 C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccnc(C)c1)S(C)(=O)=O)C(F)(F)F |r|
BDBM50457694 Cc1cc(ccn1)-n1cc2CN(Cc2n1)C(=O)c1cc(ccc1N1CCC(F)(F)CC1)C#N
BDBM50457695 Cc1cc(ccn1)-n1cc2CN(Cc2n1)C(=O)c1cc(ccc1N1CCC(F)(F)CC1)S(C)(=O)=O
BDBM50457696 CC(C)Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1cncc(F)c1)C#N
BDBM50457697 C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccnc(C)c1)C#N)C(F)(F)F |r|
BDBM50457700 Cc1cc(ccn1)-n1cc2CN(Cc2n1)C(=O)c1cc(ccc1OCC1CC1)C#N
BDBM50457701 CC(C)Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccnc(C)c1)C#N
BDBM50457713 C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)C1CCCC1)S(C)(=O)=O)C(F)(F)F |r|
BDBM50457714 CCS(=O)(=O)c1ccc(O[C@@H](C)C(F)(F)F)c(c1)C(=O)N1Cc2cn(nc2C1)-c1cncc(F)c1 |r|
BDBM50286071 Cl.OC(=O)CNC(=O)c1c(O)cc(CCc2ccccc2)n2ncnc12
BDBM50457687 CS(=O)(=O)c1ccc(N2CCC(F)(F)CC2)c(c1)C(=O)N1Cc2cn(nc2C1)-c1ccccc1F
BDBM50457688 C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1cncc(F)c1)S(C)(=O)=O)C(F)(F)F |r|
BDBM50457689 CCS(=O)(=O)c1ccc(O[C@@H](C)C(F)(F)F)c(c1)C(=O)N1Cc2cn(nc2C1)-c1ccnc(C)c1 |r|
BDBM50457690 C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1cncc(F)c1)C#N)C(F)(F)F |r|
BDBM50457691 CCS(=O)(=O)c1ccc(O[C@@H](C)C(F)(F)F)c(c1)C(=O)N1Cc2cn(nc2C1)-c1ccccc1F |r|
BDBM50457698 CC(C)Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccccc1F)S(C)(=O)=O
BDBM50457699 C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)C1CCCC1)C#N)C(F)(F)F |r|
BDBM406663 Fc1cccc(F)c1-c1cc(Nc2ccc(cc2)C(=O)N2CCCC2)c2C(=O)NCc2n1
BDBM50457702 CS(=O)(=O)c1ccc(-c2cccc(F)c2)c(c1)C(=O)N1Cc2cn(nc2C1)-c1ccccc1F
BDBM50457703 CS(=O)(=O)c1ccc(-c2cccc(F)c2)c(c1)C(=O)N1Cc2cn(nc2C1)-c1cncc(F)c1
BDBM50457705 Cc1cc(ccn1)-n1cc2CN(Cc2n1)C(=O)c1cc(ccc1-c1cccc(F)c1)C#N
BDBM50457706 CC(C)(C)Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccccc1F)S(C)(=O)=O
BDBM50457707 C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccccc1F)C#N)C(F)(F)F |r|
BDBM50457708 CC(C)Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccccc1)C#N
BDBM50457709 CC(C)S(=O)(=O)c1ccc(O[C@@H](C)C(F)(F)F)c(c1)C(=O)N1Cc2cn(nc2C1)-c1ccccc1 |r|
BDBM50457710 CS(=O)(=O)c1ccc(N2CCC(F)(F)CC2)c(c1)C(=O)N1Cc2cn(nc2C1)-c1cncc(F)c1
BDBM50457711 CS(=O)(=O)c1ccc(OCC2CC2)c(c1)C(=O)N1Cc2cn(nc2C1)-c1ccccc1F
BDBM50457712 C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1cccc(C)c1)S(C)(=O)=O)C(F)(F)F |r|
BDBM50457685 C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccccc1)S(C)(=O)=O)C(F)(F)F |r|
BDBM50457686 Fc1cccc(c1)-c1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1cncc(F)c1)C#N
BDBM50457704 Cc1cc(ccn1)-n1cc2CN(Cc2n1)C(=O)c1cc(ccc1-c1cccc(F)c1)S(C)(=O)=O
BDBM50520561 [Cl-].Cc1c(O)c(O)cc[n+]1[C@@H](CO)Cc1ccccc1 |r|
BDBM50540846 CS(=O)(=O)n1cc2CN(Cc2n1)[C@@H]1C[C@H](N)[C@H](O[C@@H]1C(F)(F)F)c1cc(F)ccc1F |r|
BDBM50575468 NCCn1nnc(n1)-c1ccc(Oc2ccc(Cl)cc2)cc1
BDBM50575469 NCCCn1nnc(n1)-c1ccc(Oc2ccc(Cl)cc2)cc1
BDBM50575470 CC(=O)NCCn1nnc(n1)-c1ccc(Oc2ccc(Cl)cc2)cc1
BDBM50575471 C[C@H](CN)n1nnc(n1)-c1ccc(Oc2ccc(Cl)cc2)cc1 |r|
BDBM50575472 C[C@@H](N)Cn1nnc(n1)-c1ccc(Oc2ccc(Cl)cc2)cc1 |r|
BDBM50575473 OC(=O)CCCn1nnc(n1)-c1ccc(Oc2ccc(Cl)cc2)cc1
BDBM50575474 OC(=O)CCn1nnc(n1)-c1ccc(Oc2ccc(Cl)cc2)cc1
BDBM50575477 N[C@@H](CC(O)=O)Cn1nnc(n1)-c1ccc(Oc2ccc(Cl)cc2)cc1 |r|
BDBM50575478 N[C@H](CC(O)=O)Cn1nnc(n1)-c1ccc(Oc2ccc(Cl)cc2)cc1 |r|
BDBM50566497 CCC(C)(C)C(O)=O
BDBM50575465 Cc1ccc(Oc2ccc(cc2)-c2nnn(CCN)n2)cc1
BDBM50573869 Cl.Cn1nccc1-c1ccc(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)c(F)c1 |r|
BDBM50575173 CCc1nc(no1)-c1ccc2[C@@H](CCc2c1)NC(=O)c1cnn(C)c1 |r|
BDBM50584760 [H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@H](CC[C@]34O)c3ccc(=O)oc3)[C@@]1(C)CCC(=O)C2
BDBM50584761 [H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@H](CC[C@]34O)c3ccc(=O)oc3)[C@@]1(C)CC[C@H](O)C2 |r|
BDBM50584007 NC(=O)[C@@H]1C[C@H](F)CN1Cc1ccc(OCc2cccc(F)c2)cc1 |r|