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169 SMILES Strings for Interferon-induced, double-stranded RNA-activated protein kinase

Compound NameSMILES String
BDBM21 COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
BDBM2579 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
BDBM4552 COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
BDBM4779 Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl
BDBM4814 CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
BDBM4851 Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
BDBM5445 CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
BDBM5446 COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
BDBM5447 COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
BDBM5655 CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
BDBM5931 CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1
BDBM6568 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,)|
BDBM6860 Brc1ccc2c(c1)[nH]c1c3[nH]c4ccccc4c3c3C(=O)NC(=O)c3c21
BDBM6866 Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F
BDBM6877 Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)Nc1c(F)cccc1F
BDBM6878 Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=S)Nc1c(F)cccc1F
BDBM7533 CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
BDBM7238 COc1ccc2NC(=O)C(=Cc3cnc[nH]3)c2c1 |w:10.10|
BDBM7401 Brc1ccc2C(C(=O)Nc2c1)c1[nH]c2ccccc2c1N=O
BDBM7534 Nc1n[nH]c2nc3ccccc3nc12
BDBM12621 COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N
BDBM13336 CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
BDBM13216 Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
BDBM13530 CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
BDBM13531 Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
BDBM13533 Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
BDBM13534 CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
BDBM13535 COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
BDBM15138 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
BDBM15244 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,)|
BDBM16018 O=C1c2ccccc2-c2n[nH]c3cccc1c23
BDBM16673 CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
BDBM17055 CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
BDBM21079 Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
BDBM25617 CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
BDBM25628 OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
BDBM24654 Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
BDBM24773 CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12
BDBM25084 Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
BDBM25117 CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)n[nH]c2c1
BDBM25118 CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
BDBM25013 CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
BDBM25028 CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
BDBM25045 Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
BDBM27817 CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
BDBM26474 CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
BDBM26300 CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1
BDBM25919 Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
BDBM31340 COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1
BDBM31085 CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
BDBM31088 Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
BDBM31090 CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM31093 OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
BDBM31094 [H][C@@]12C[C@@H]([C@H](OC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |TLB:11:10:9:4.3.2,17:33:9:4.3.2,THB:24:32:9:4.3.2,5:4:9:10.31.33.32,30:31:9:4.3.2|
BDBM31095 Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
BDBM31099 CN1CCC([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl
BDBM32362 COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1
BDBM36409 CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
BDBM53035 Cc1[nH][nH]c(=O)c1N=Nc1ccc(cc1)S(N)(=O)=O |w:8.9|
BDBM25121 CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
BDBM50073765 CCn1cnc2c(Nc3cccc(Cl)c3)nc(N[C@@H]3CCCC[C@@H]3N)nc12
BDBM50110208 NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1
BDBM50113707 CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NCCO)nc12
BDBM50128285 Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
BDBM50132260 Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
BDBM50162083 Cc1cc(Nc2nc(nc3ccccc23)-c2ccccc2)[nH]n1
BDBM50161957 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50173832 Fc1ccc(Nc2c(cnc3cnc(NCc4cccnc4)cc23)C#N)cc1Cl
BDBM50184807 C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
BDBM50193995 C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
BDBM50200392 FC(F)(F)c1cccc(Nc2ccnc(Nc3cccc(NC(=O)C4CC4)c3)n2)c1
BDBM50230828 NC(=O)Nc1sc(cc1C(N)=O)-c1ccc(F)cc1
BDBM50237710 Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
BDBM50242737 Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|
BDBM50242742 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1
BDBM50262685 C(CN1CCCCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccncc1
BDBM50306682 C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
BDBM50308060 C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |r|
BDBM50300690 CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
BDBM50301356 CNc1ccn(-c2ccccc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cn1
BDBM50298223 Nc1ncnc2n[nH]c(Nc3ccc(F)cc3)c12
BDBM50309910 COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
BDBM50322823 CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r|
BDBM50325986 Nc1cccc(c1)-c1cc2c(Oc3cccc(O)c3)ncnc2[nH]1
BDBM50326053 CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
BDBM50326054 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|
BDBM50312990 Cn1cc(C2=C(C(=O)NC2=O)c2cccc(NCC(O)CO)c2)c2cc(F)ccc12 |t:4|
BDBM50331096 COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
BDBM50332294 Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C
BDBM50347871 Cc1[nH]c2ccccc2c1-c1ccnc(NCCc2c[nH]c3ccccc23)n1
BDBM50347872 COc1ccc2[nH]cc(-c3ccnc(NCCN4CCOCC4)n3)c2c1
BDBM50347873 Fc1ccc(cc1)N1CCN(CC1)c1nccc(n1)-c1c[nH]c2ccccc12
BDBM50347874 C(Nc1nccc(n1)-c1c([nH]c2ccccc12)-c1ccccc1)c1cccnc1
BDBM50347875 COCCCNc1nccc(n1)-c1c(C)[nH]c2ccc(Cl)cc12
BDBM50347907 O=c1nncc(Nc2ccc3cn[nH]c3c2)[nH]1
BDBM50347908 Cc1nnc(=O)[nH]c1Nc1ccc2cn[nH]c2c1
BDBM50347909 Nc1nc(Nc2ccc(OC(F)(F)F)cc2)c2[nH]cnc2n1
BDBM50347910 Cn1ncc2c(nc(NCCc3c[nH]c4ccccc34)nc12)N1CCOCC1
BDBM50347911 Cc1[nH]c2ccc(Cl)cc2c1-c1ccnc(NCCN2CCOCC2)n1
BDBM50347876 CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2c(C)[nH]c3ccc(Cl)cc23)cc1
BDBM50347877 C(Cc1c[nH]c2ccccc12)Nc1nccc(n1)-c1c[nH]nc1-c1ccncc1
BDBM50347878 COc1ccc2[nH]c(C)c(-c3ccnc(Nc4ccc(Cl)cc4)n3)c2c1
BDBM50347879 Fc1ccc(Nc2nccc(n2)-c2c([nH]c3ccccc23)-c2ccccc2)cc1
BDBM50347880 Cc1[nH]c2ccc(Cl)cc2c1-c1ccnc(n1)N1CCCC1
BDBM50347881 COc1ccc(Nc2nccc(n2)-c2c(C)[nH]c3ccc(OC)cc23)cc1
BDBM50347882 C1CCC(C1)Nc1nccc(n1)-c1c([nH]c2ccccc12)-c1ccccc1
BDBM50347883 Cc1[nH]c2ccc(Cl)cc2c1-c1ccnc(NC2CCCC2)n1
BDBM50347884 Cc1[nH]c2ccc(Cl)cc2c1-c1ccnc(NCc2cccnc2)n1
BDBM50347885 Cc1[nH]c2ccc(Cl)cc2c1-c1ccnc(Nc2cccc(Cl)c2)n1
BDBM50347886 Cc1[nH]c2ccccc2c1-c1ccnc(Nc2ccc(F)c(F)c2)n1
BDBM50347887 Cc1[nH]c2ccccc2c1-c1ccnc(Nc2cccc(Cl)c2)n1
BDBM50347888 Cc1[nH]c2ccccc2c1-c1ccnc(Nc2ccccc2Cl)n1
BDBM50347889 Cc1[nH]c2ccccc2c1-c1ccnc(Nc2ccc(Cl)cc2)n1
BDBM50347890 Cc1[nH]c2ccccc2c1-c1ccnc(NCc2cccnc2)n1
BDBM50347891 Cc1[nH]c2ccccc2c1-c1ccnc(Nc2cccnc2)n1
BDBM50347892 Cc1[nH]c2ccc(Cl)cc2c1-c1ccnc(n1)N1CCN(CC1)c1ccc(F)cc1
BDBM50347893 COC(=O)c1ccc2c(c[nH]c2c1)-c1ccnc(SCCN(C)C)n1
BDBM50347894 Cc1[nH]c2ccccc2c1-c1ccnc(n1)N1CCN(CC1)c1ccccn1
BDBM50347895 Cc1[nH]c2ccccc2c1-c1ccnc(n1)N1CCCC1
BDBM50347896 COC(=O)c1ccc2c(c[nH]c2c1)-c1ccnc(NCCO)n1
BDBM50347897 COC(=O)c1ccc2c(c[nH]c2c1)-c1ccnc(NCCN2CCOCC2)n1
BDBM50347898 Cc1[nH]c2ccccc2c1-c1ccnc(n1)N1CCOCC1
BDBM50347899 Cc1[nH]c2ccccc2c1-c1ccnc(n1)N1CCN(CC1)c1ccc(F)cc1
BDBM50347900 CC(C)C(CO)Nc1nccc(n1)-c1c(C)[nH]c2ccccc12
BDBM50347901 CN1CCN(CC1)c1ccc(Nc2ncnc3ccc(cc23)[N+]([O-])=O)cc1
BDBM50347902 COCCCNc1nccc(n1)-c1c(C)[nH]c2ccccc12
BDBM50347903 COc1ccc2NC(=O)C(=NNC(=O)c3cc(Br)ccc3O)c2c1 |w:10.10|
BDBM50347904 NCc1ccc(cc1)C(=O)NN=C1C(=O)Nc2ccc(Br)cc12 |w:11.11|
BDBM50347906 FC(F)(F)c1nnc2ccc(NCCc3c[nH]c4ccccc34)nn12
BDBM50347913 C(CN1CCOCC1)Nc1nccc(n1)-c1c([nH]c2ccccc12)-c1ccccc1
BDBM50347915 COc1ccc2c(c1)[nH]c1c(ncnc21)N1CCN(CC1)C(N)=O
BDBM50347916 CN1C(=O)NC(=O)\C(=C/c2c[nH]c3ccc(O)cc23)C1=O
BDBM50347917 O=C1NC(=O)\C(N1)=C\c1c[nH]c2ccccc12
BDBM50347918 Brc1ccc2[nH]cc(\C=C3/NC(=O)NC3=O)c2c1
BDBM50347919 O=C1Cc2ccc(Oc3ccc4CC(=O)Nc4c3)cc2N1
BDBM50347920 O=C1NCc2c1c1c3ccccc3n3C4CCC(O4)n4c5ccccc5c2c4c13
BDBM50347923 [O-][N+](=O)c1ccc2NC3C(CC(=O)Nc4ccc(CCC#N)cc34)c2c1
BDBM50347924 CCN(CC)C(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1
BDBM50347925 O=C1NC(=O)\C(N1)=C/c1c[nH]c2ccccc12
BDBM50347926 Cc1[nH]c2ccccc2c1-c1ccnc(Nc2ccc(F)cc2)n1
BDBM50347927 COc1ccc2[nH]c(C)c(-c3ccnc(NC4CCCC4)n3)c2c1
BDBM50355494 COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
BDBM50355495 CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nc(cs3)-c3cccnc3)c2)CC1
BDBM50355496 O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1
BDBM50355497 Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO
BDBM50355499 CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
BDBM50355500 C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
BDBM50355501 N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r|
BDBM50355504 COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|
BDBM50347905 CSc1cccc(c1)N=CC1C(=O)Nc2ccccc12 |w:9.10|
BDBM50347912 OCCNc1nccc(n1)-c1c[nH]c2ccccc12
BDBM50347921 Cn1nc2-c3ccccc3C(=O)c3cccc1c23
BDBM50347922 OC(=O)\C=C\c1cc(Br)c(Br)c(Br)c1Br
BDBM50347928 Cc1[nH]c2ccccc2c1-c1ccnc(NCCO)n1
BDBM50396528 Nc1ncc(-c2cccnc2)c2scc(-c3ccc4N(CCc4c3)C(=O)Cc3ccccc3)c12
BDBM50396530 Nc1nccc2scc(-c3ccc4N(CCc4c3)C(=O)Cc3ccccc3)c12
BDBM50396531 Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc2N(CCc2c1)C(=O)Cc1ccccc1
BDBM50396534 Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(c2)C(F)(F)F)c2c(N)ncnc12
BDBM50396536 Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(Cl)c2)c2c(N)ncnc12
BDBM50442162 Cn1cc(-c2ccc3N(CCc3c2F)C(=O)Cc2cccc(n2)C(F)(F)F)c2c(N)ncnc12
BDBM50442163 Cc1cc(C)n(CC(=O)N2CCc3c2ccc(-c2cn(C)c4ncnc(N)c24)c3F)n1
BDBM50442166 Cc1cccc(CC(=O)N2CCc3c2ccc(-c2cn(C)c4ncnc(N)c24)c3F)n1
BDBM50440018 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,)|
BDBM60665 COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC
BDBM50026612 COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1
BDBM50072073 COc1cc2nccc(Oc3ccc(NC(=O)c4c(-c5ccccc5)n(C)n(-c5ccccc5)c4=O)nc3)c2cc1OC
BDBM60589 Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
BDBM50072074 CNc1ncc2cc(ccc2n1)-c1c(C)ccc(C(=O)Nc2ccc(OC)c(c2)C(F)(F)F)c1N
BDBM31096 CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13