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102 SMILES Strings for Apoptosis Regulator Bcl-xL

Compound NameSMILES String
BDBM29643 CN1CCc2cccc-3c2[C@@H]1Cc1ccc(O)c(O)c-31
BDBM29644 CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31
BDBM21447 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|
BDBM29658 Cc1cccc(c1)C(=O)\N=c1/c(cc2c(nc3c(C)cccn3c2=O)n1Cc1ccco1)C#N
BDBM33199 Cc1ccc(o1)-c1nc2n(Cc3ccccc3)c(=O)[nH]c(=O)c2n1C
BDBM33183 [O-]c1[nH]c(=O)[nH]c(=O)c1[CH+]c1ccc(o1)-c1cc(Cl)ccc1[N+]([O-])=O
BDBM32269 C1Sc2nnc(-c3cccnc3)n2N=C1c1cccs1 |c:15|
BDBM32276 CCCCNc1[nH]c(=S)nc2cc(OC)c(OC)cc12
BDBM32278 N(c1ccccc1)c1cccc(Nc2ccccc2)n1
BDBM32305 Cc1ccc(OCc2cn3cccnc3n2)cc1
BDBM32306 Cc1cc(OCc2cn3cccnc3n2)ccc1Cl
BDBM32313 Oc1c(ccccc1=O)C(=O)\C=C\c1ccccc1Cl
BDBM32330 Cc1csc(n1)C(C#N)=C1C(=O)Nc2ccc(F)cc12 |w:9.20|
BDBM32267 COCCNc1[nH]c(=S)nc2cc(OC)c(OC)cc12
BDBM32273 Cc1cc2-c3ccc(C)n3CCn2c1
BDBM32274 CN1CCN(CC1)C1=C(Cl)C(=O)C(c2cnc(s2)N2CCCCC2)=C(Cl)C1=O |c:8,t:26|
BDBM32275 Clc1nc(NCc2cccnc2)nc(n1)N1CCOCC1
BDBM32277 COc1cccc(CN=Nc2nn3cnnc3c3ccccc23)c1 |w:9.9|
BDBM32279 CCOC(=O)c1ccc(Nc2nc(nc3ccccc23)C(=O)OCC)cc1
BDBM32280 CC(=O)c1ccc(NC(=O)c2ccc3nc(-c4ccco4)c(nc3c2)-c2ccco2)cc1
BDBM32281 COc1ccc(cc1OC)C1=Nn2c(SC1)nnc2-c1ccco1 |t:11|
BDBM32282 CCOCCCn1c(N)c(C(=O)Nc2sc3CCCCc3c2C(=O)OC)c2nc3ccccc3nc12
BDBM32283 COCCCn1c(N)c(C(=O)Nc2sc3CCCCc3c2C(=O)OC)c2nc3ccccc3nc12
BDBM32284 COc1cccc(CN=Nc2nn3cnnc3c3ccccc23)c1O |w:9.9|
BDBM32285 COc1cc(CN=Nc2nn3cnnc3c3ccccc23)ccc1O |w:7.7|
BDBM32286 CCOC(=O)c1nc(Nc2ccc(cc2)C(=O)OC)c2ccccc2n1
BDBM32287 Clc1ccccc1-c1ccc(\C=C2\SC(=S)N(CC3CCCO3)C2=O)o1
BDBM32288 CN(N=Cc1ccncc1)C1=NS(=O)(=O)c2ccccc12 |w:2.1,t:11|
BDBM32289 O=[#6]-1\[#6](=[#6]\c2cn(-[#6]C#C)c3ccccc23)-[#6](=O)-c2ccccc-12
BDBM32290 CCOc1ccccc1-n1c(=O)c2ccccc2c2ccccc2c1=O |(13.76,-.07,;12.9,1.21,;11.36,1.09,;10.49,2.36,;11.16,3.75,;10.29,5.02,;8.76,4.91,;8.09,3.52,;8.96,2.25,;8.29,.86,;9.25,-.34,;10.75,-0,;8.91,-1.84,;10.25,-2.73,;10.14,-4.33,;8.69,-5.02,;7.38,-4.11,;7.52,-2.51,;6.13,-1.84,;4.97,-2.95,;3.44,-2.49,;3.08,-.93,;4.26,.15,;5.79,-.34,;6.75,.86,;6.08,2.25,)|
BDBM32291 CN(N=Cc1cccnc1)C1=NS(=O)(=O)c2ccccc12 |w:2.1,t:11|
BDBM32292 [O-][N+](=O)c1ccccc1-c1ccc([CH+][N-]NC(=O)c2cncc(Br)c2)o1
BDBM32293 Oc1cccn2c1nc(=O)c1c2c2ccccc2[nH]c1=O
BDBM32294 CN(N=C\C=C\c1ccccc1)C1=NS(=O)(=O)c2ccccc12 |w:2.1,t:13|
BDBM32295 CCN1C(=S)S\C(=C/C=C2\C=CN(CC)c3ccccc23)C1=O |c:10|
BDBM32296 Cc1ccc(cc1)C(=O)\C=C\c1ccc(o1)-c1ccc(C)cc1
BDBM32297 COc1cc(C=NNC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)ccc1O |w:6.6|
BDBM32298 Cc1ccc(cc1)-c1ccc(\C=C\C(=O)c2ccccc2)o1
BDBM32299 CC\C(=C/c1sc2ccc(OC)cc2[n+]1CCO)\C=C1/Sc2ccc(OC)cc2N1CCO
BDBM32300 Cc1nc2ncccn2c1-c1csc(Nc2ccccc2)n1
BDBM32301 OCCN(N=C\C=C\c1ccccc1)C1=NS(=O)(=O)c2ccccc12 |w:4.3,t:15|
BDBM32302 Clc1nc2ccccc2cc1CN=Nc1nc2ccccc2[nH]1 |w:13.15|
BDBM32303 Cc1cc(C)nc(SCc2cc(=O)c(OC(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)co2)n1
BDBM32304 COc1ccc(OC)c(c1)-n1c(=O)c2ccccc2c2ccccc2c1=O |(8.56,6.3,;7.89,4.91,;8.76,3.64,;10.29,3.75,;11.16,2.48,;10.49,1.09,;11.36,-.18,;12.9,-.07,;8.96,.98,;8.09,2.25,;8.29,-.41,;9.25,-1.62,;10.75,-1.27,;8.91,-3.12,;10.25,-4,;10.14,-5.6,;8.69,-6.3,;7.38,-5.38,;7.52,-3.78,;6.13,-3.12,;4.97,-4.23,;3.44,-3.76,;3.08,-2.2,;4.26,-1.12,;5.79,-1.62,;6.75,-.41,;6.08,.98,)|
BDBM32307 Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)co2)n1
BDBM32308 O=C(\C=C/c1ccc(o1)-c1ccccc1)c1ccccc1
BDBM32309 COc1ccc(c(OC)c1)-n1c(=O)c2ccccc2c2ccccc2c1=O |(10.09,6.35,;10.96,5.08,;10.29,3.69,;8.76,3.58,;8.09,2.19,;8.96,.92,;10.49,1.03,;11.36,-.24,;12.9,-.12,;11.16,2.42,;8.29,-.47,;9.25,-1.67,;10.75,-1.33,;8.91,-3.17,;10.25,-4.06,;10.14,-5.66,;8.69,-6.35,;7.38,-5.44,;7.52,-3.84,;6.13,-3.17,;4.97,-4.28,;3.44,-3.82,;3.08,-2.26,;4.26,-1.18,;5.79,-1.67,;6.75,-.47,;6.08,.92,)|
BDBM32310 Nc1c(sc2nc3\C(CCc3c(-c3ccco3)c12)=C\c1ccco1)C(=O)NCC1CCCO1
BDBM32311 Nc1c(sc2nc3\C(CCc3c(-c3ccco3)c12)=C/c1ccco1)C(=O)NC1CC1
BDBM32312 COc1cc(\C=C2/CC\C(=C/c3cc(OC)c(O)c(OC)c3)C2=O)cc(OC)c1O
BDBM32050 O=C1c2ccccc2-c2onc3ccc(NCCCn4ccnc4)c1c23
BDBM32314 OCCN1CCN(CCCc2c3CCCc3cc3CCCc23)CC1
BDBM32315 CCOC(=O)c1c2-c3ccccc3C(=O)c3cccc([nH]c1=O)c23
BDBM32316 CCOC(=O)c1c2-c3ccccc3C(=O)c3c(Cl)ccc([nH]c1=O)c23
BDBM32317 COc1cccc2c(SCC(=O)NN=Cc3ccc(O)cc3O)cc(C)nc12 |w:13.12|
BDBM32318 Cc1nc2ncccn2c1-c1csc(Nc2ccc(O)cc2)n1
BDBM32319 Cc1ccc(cc1)-c1ccc(\C=C2/SC(=NC2=O)N2CCOCC2)o1 |c:15|
BDBM32320 O=C1c2ccccc2-c2onc3ccc(N4CCCC4)c1c23
BDBM32321 O=C(CSc1ccc2nnc(-c3ccncc3)n2n1)Nc1nccs1
BDBM32322 O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)Nc1nccs1
BDBM32323 Cc1nnc2ccc(nn12)-c1cccc(NC(=O)c2ccco2)c1
BDBM32324 COc1ccc(C)cc1-n1c(=O)c2ccccc2c2ccccc2c1=O |(12.9,.63,;11.36,.51,;10.49,1.79,;11.16,3.17,;10.29,4.44,;8.76,4.33,;7.89,5.6,;8.09,2.94,;8.96,1.67,;8.29,.28,;9.25,-.92,;10.75,-.58,;8.91,-2.42,;10.25,-3.31,;10.14,-4.91,;8.69,-5.6,;7.38,-4.69,;7.52,-3.09,;6.13,-2.42,;4.97,-3.53,;3.44,-3.07,;3.08,-1.51,;4.26,-.43,;5.79,-.92,;6.75,.28,;6.08,1.67,)|
BDBM32325 Clc1cccc(NC(=O)Nc2ccnc(n2)-c2cccnc2)c1
BDBM32326 COc1cc2nc(=S)n(CCc3ccccc3)c(N)c2cc1OC
BDBM32327 COc1cc2nc(=S)n(CCCN3CCOCC3)c(N)c2cc1OC
BDBM32328 COc1cc2nc(=S)[nH]c(NCCc3ccc(cc3)S(N)(=O)=O)c2cc1OC
BDBM32329 CCN1\C(Sc2ccccc12)=C\C(\C)=C\c1sc2ccccc2[n+]1CC
BDBM32259 Cc1nc2sccn2c1-c1csc(Nc2cc(C)ccn2)n1
BDBM32260 CCOc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1ccccn1 |t:10|
BDBM32261 CCN(CC)c1ccc(cc1)-c1nn2c(nnc2s1)-c1cccnc1
BDBM32262 CSc1nnc2c3cc(C)ccc3n(Cc3ccccc3)c2n1
BDBM32263 Cc1cc(n[nH]1)-c1nnc2SCC(=Nn12)c1ccc(cc1)-c1ccccc1 |c:13|
BDBM32264 C1CCCN(CC1)c1nc(nc2ccccc12)-c1ccccn1
BDBM32265 CCOCCCNc1[nH]c(=S)nc2cc(OC)c(OC)cc12
BDBM32266 COc1ccc(CCNC(=O)c2ccc3nc(-c4ccco4)c(nc3c2)-c2ccco2)cc1OC
BDBM32331 O=c1c2c(csc2nc2c3ccccc3c(NCCN3CCOCC3)nn12)-c1ccccc1
BDBM32268 COCCCNc1[nH]c(=S)nc2cc(OC)c(OC)cc12
BDBM32270 COc1cc2nc(=S)[nH]c(NCC3CCCO3)c2cc1OC
BDBM32271 NC(=O)c1sc2nc3CCCc3c(-c3ccco3)c2c1N
BDBM32272 CCCCNC(=O)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
BDBM32035 O=C1c2ccccc2-c2onc3ccc(NCc4ccco4)c1c23
BDBM54717 CNC1CCC(Br)CC(C(=O)C=Cc2cccc(OC)c2OC)C1=O |w:11.10|
BDBM85272 Cc1csc(NC(=O)c2ccccc2C(O)=O)c1-c1nc2ccccc2s1
BDBM85273 Oc1ccccc1-c1cc(-c2ccc3OCOc3c2)c(C#N)c(=O)[nH]1
BDBM85274 OC(=O)c1ccccc1C(=O)c1ccc(Sc2ccc(Cl)cc2)c(c1)N(=O)=O
BDBM85275 OC(=O)c1ccccc1C(=O)c1ccc(Sc2ccccc2)c(c1)N(=O)=O
BDBM109231 CC(N=Nc1nc2ccccc2s1)c1ccc(o1)-c1cccc(c1)S(=O)(=O)NC(=O)CCCCCc1ccccc1 |w:2.1|
BDBM109232 OC(=O)c1cccc(n1)-c1ccc2CCCC(=NNc3nc4ccccc4s3)c2c1 |w:17.18|
BDBM109233 OC(=O)c1csc(n1)-c1ccc2CCCC(=NNc3nc4ccccc4s3)c2c1 |w:16.17|
BDBM109234 OC(=O)c1nc(ccc1OCCCOc1ccccc1)-c1ccc2CCCC(=NNc3nc4ccccc4s3)c2c1 |w:28.30|
BDBM109235 OC(=O)c1nc(sc1CCCCc1ccccc1)-c1ccc2CCCC(=NNc3nc4ccccc4s3)c2c1 |w:26.28|
BDBM109236 NCc1ccc(OCCCc2sc(nc2C(O)=O)-c2ccc3CCCC(=NNc4nc5ccccc5s4)c3c2)cc1 |w:26.27|
BDBM50436643 CC(N=Nc1nc2ccccc2s1)c1ccc(o1)-c1cccc(c1)C(O)=O |w:3.3|
BDBM60828 CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:57|
BDBM218795 CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)C(CNC(=O)CCl)NC(C)=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
BDBM218796 CC[C@H](C)[C@H](NC(=O)[C@](C)(CCCC=C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)C(CNC(=O)CCl)NC(C)=O)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@](C)(CCCC=C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
BDBM218788 CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(N)=O |r|
BDBM218789 CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCS)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(N)=O |r|
BDBM218791 CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(N)=O |r|
BDBM218792 CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(C)=O)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(N)=O |r|
BDBM218790 CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)C(CNC(=O)CCl)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(N)=O |r|
BDBM218793 CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(N)=O |r|