SMILES for Bcl2-associated agonist of cell death

144 SMILES Strings for Bcl2-associated agonist of cell death

Compound Name

SMILES String

BDBM50372175

Brc1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)OCCOC(=O)[C@H](Cc3ccccc3)N3C(=S)S\C(=C/c4ccc(Br)cc4)C3=O)C2=O)cc1

BDBM50372179

Brc1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)OCCOCCOC(=O)[C@H](Cc3ccccc3)N3C(=S)S\C(=C/c4ccc(Br)cc4)C3=O)C2=O)cc1

BDBM50372174

Brc1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)OCCOCCOCCOC(=O)[C@H](Cc3ccccc3)N3C(=S)S\C(=C/c4ccc(Br)cc4)C3=O)C2=O)cc1

BDBM50254526

CC(=O)NC[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1-n1nc(cc1C)C(=O)N(c1ccccc1)c1ccccc1 |r|

BDBM50324474

CC(C)=c1c(O)c(O)c(C=N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C([O-])=O)c2c(O)c(-c3c(O)c4c(C=N[C@H]5[C@H]6SC(C)(C)[C@@H](N6C5=O)C([O-])=O)c(O)c(O)c(=C(C)C)c4c(O)c3=C)c(=C)c(O)c12 |r,w:33.34,9.8,wU:12.18,36.44,11.10,35.36,wD:41.48,17.22,(27.06,.19,;28.39,-.58,;29.73,.19,;28.4,-2.12,;29.73,-2.89,;31.06,-2.12,;29.73,-4.43,;31.06,-5.2,;28.4,-5.2,;28.4,-6.74,;29.73,-7.51,;29.73,-9.05,;30.82,-10.13,;32.18,-10.83,;31.94,-12.35,;32.32,-13.82,;33.48,-12.34,;30.43,-12.59,;29.73,-11.22,;28.64,-10.13,;27.1,-10.13,;29.64,-13.91,;28.1,-13.89,;30.4,-15.25,;27.07,-4.43,;25.74,-5.2,;25.74,-6.74,;24.41,-4.43,;23.08,-5.21,;21.74,-4.45,;21.73,-2.91,;20.41,-5.23,;19.07,-4.46,;19.06,-2.92,;17.73,-2.15,;17.72,-.61,;16.62,.46,;15.24,1.14,;15.47,2.67,;14.13,3.45,;15.45,4.22,;16.99,2.92,;17.7,1.56,;18.8,.47,;20.34,.47,;17.78,4.24,;17.03,5.58,;19.32,4.22,;17.75,-5.23,;16.41,-4.46,;17.74,-6.77,;16.41,-7.54,;19.07,-7.54,;19.08,-9.08,;17.74,-9.86,;20.41,-9.85,;20.42,-6.77,;21.75,-7.54,;21.75,-9.08,;23.08,-6.76,;24.42,-7.53,;24.39,-2.9,;23.05,-2.14,;25.73,-2.13,;25.72,-.59,;27.07,-2.89,)|

BDBM555324

CC(C)C12CC(C1)(C2)C1=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)CCC(C)(C)C1 |c:10|

BDBM50357614

CC(C)CNC(=O)c1cccc2c3cnccc3c(Nc3ccccc3Cl)nc12

BDBM50214871

CC(C)Cc1c(O)c(O)c(O)c2c1oc(C)c(-c1ccc(cc1)-c1c(C)oc3c(CC(C)C)c(O)c(O)c(O)c3c1=O)c2=O

BDBM50357613

CC(C)NC(=O)c1cccc2c1nc(Nc1ccccc1Cl)c1ccncc21

BDBM23223

CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O |(-4.44,-1.63,;-5.78,-.86,;-7.11,-1.63,;-5.78,.68,;-7.11,1.45,;-8.44,.68,;-7.11,2.99,;-8.44,3.76,;-5.78,3.76,;-5.78,5.3,;-4.44,6.07,;-4.44,2.99,;-3.11,3.76,;-3.11,5.3,;-1.77,2.99,;-1.77,1.45,;-.44,.68,;-3.11,.68,;-4.44,1.45,;-.44,3.76,;-.44,5.3,;-1.77,6.07,;.89,6.07,;2.23,5.3,;3.56,6.07,;3.56,7.61,;4.89,8.38,;2.23,8.38,;4.89,5.3,;6.23,6.07,;4.89,3.76,;6.23,2.99,;3.56,2.99,;3.56,1.45,;4.89,.68,;2.23,3.76,;.89,2.99,;.89,1.45,)|

BDBM50568331

CC(C)c1ccccc1-c1cn(CCOc2cccc3ccccc23)c2cccc(-c3ccccc3C(O)=O)c12

BDBM552929

CC(F)(F)C12CC(C1)(C2)C1=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)CCC(C)(C)C1 |c:11|

BDBM552934

CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCC(O)CC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)C12CC(Cl)(C1)C2 |r,t:5|

BDBM50270877

CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 |r,t:5|

BDBM555316

CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(CCC4(F)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)C12CC(C1)(C2)C(F)(F)F |$;;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;C;;;$,c:58|

BDBM555315

CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(CCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)C12CC(C1)(C2)C(F)(F)F |$;;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;C;;;$,c:57|

BDBM552925

CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4(F)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)C12CC(C1)(C2)C(F)F |c:58|

BDBM50162774

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|

BDBM552923

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)C12CC(C1)(C2)C(F)F |c:57|

BDBM552906

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)C12CC(Cl)(C1)C2 |c:57|

BDBM552908

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)C12CC(F)(C1)C2 |c:57|

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|

BDBM555318

CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC[C@H]4CC[C@](C)(O)CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)C12CC(C1)(C2)C(F)(F)F |r,wU:29.29,32.33,wD:32.34,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;C;;;$,c:59,(4.54,-10.76,;3,-10.76,;3.77,-12.09,;3,-9.22,;1.67,-8.45,;.34,-9.22,;-1,-8.45,;-1,-6.91,;-2.33,-6.14,;-2.33,-4.6,;-1,-3.83,;.34,-4.6,;.34,-6.14,;-.98,-2.29,;.39,-1.43,;.39,.11,;-.95,.88,;-.95,2.42,;-2.28,3.19,;.39,3.19,;1.72,2.42,;3.05,1.65,;.95,1.09,;2.49,3.76,;4.03,3.76,;4.8,5.09,;4.03,6.42,;4.8,7.76,;6.34,7.76,;7.11,9.09,;6.34,10.42,;7.11,11.76,;8.65,11.76,;9.98,12.53,;8.65,13.3,;9.42,10.42,;8.65,9.09,;2.47,6.53,;1.72,5.09,;1.72,7.88,;2.5,9.2,;.18,7.9,;-2.28,.11,;-3.61,.88,;-4.95,.11,;-4.95,-1.43,;-6.28,-2.2,;-7.62,-1.43,;-9.08,-1.9,;-9.98,-.66,;-9.08,.59,;-7.62,.11,;-6.28,.88,;-2.28,-1.43,;.34,-10.76,;1.67,-11.53,;-1,-11.53,;-2.48,-11.13,;-2.88,-12.62,;-1.39,-13.02,;-2.21,-11.63,;-4.22,-13.39,;-5.55,-12.62,;-4.22,-14.93,;-2.88,-14.16,)|

BDBM555320

CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC[C@H]4CC[C@](C)(O)CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)C12CC(C1)(C2)C(F)F |r,wU:29.29,32.33,wD:32.34,c:59,(4.54,-10.76,;3,-10.76,;3.77,-12.09,;3,-9.22,;1.67,-8.45,;.34,-9.22,;-1,-8.45,;-1,-6.91,;-2.33,-6.14,;-2.33,-4.6,;-1,-3.83,;.34,-4.6,;.34,-6.14,;-.98,-2.29,;.39,-1.43,;.39,.11,;-.95,.88,;-.95,2.42,;-2.28,3.19,;.39,3.19,;1.72,2.42,;3.05,1.65,;.95,1.09,;2.49,3.76,;4.03,3.76,;4.8,5.09,;4.03,6.42,;4.8,7.76,;6.34,7.76,;7.11,9.09,;6.34,10.42,;7.11,11.76,;8.65,11.76,;9.98,12.53,;8.65,13.3,;9.42,10.42,;8.65,9.09,;2.47,6.53,;1.72,5.09,;1.72,7.88,;2.5,9.2,;.18,7.9,;-2.28,.11,;-3.61,.88,;-4.95,.11,;-4.95,-1.43,;-6.28,-2.2,;-7.62,-1.43,;-9.08,-1.9,;-9.98,-.66,;-9.08,.59,;-7.62,.11,;-6.28,.88,;-2.28,-1.43,;.34,-10.76,;1.67,-11.53,;-1,-11.53,;-2.48,-11.13,;-2.88,-12.62,;-1.39,-13.02,;-2.21,-11.63,;-4.22,-13.39,;-5.55,-12.62,;-4.22,-14.93,)|

BDBM555317

CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4(F)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)C12CC(C1)(C2)C(F)(F)F |$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;C;;;$,c:58|

BDBM552926

CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4(F)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)C12CC(C1)(C2)C(F)F |c:58|

BDBM555337

CC1(C)CCC(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCC(O)CC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)=C(C1)C12CC(C1)(C2)C(F)F |r,c:61|

BDBM555342

CC1(C)CCC(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCN(CCO)CC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)=C(C1)C12CC(C1)(C2)C(F)F |r,c:63|

BDBM555340

CC1(C)CCC(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCNCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)=C(C1)C12CC(C1)(C2)C(F)F |r,c:60|

BDBM555333

CC1(C)CCC(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)=C(C1)C12CC(C1)(C2)C(F)F |r,c:60|

BDBM555334

CC1(C)CCC(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)[N+]([O-])=O)=C(C1)C12CC(C1)(C2)C(F)F |r,c:56|

BDBM552911

CC12CC(C1)(C2)C1=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4(F)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)CCC(C)(C)C1 |c:8|

BDBM552909

CC12CC(C1)(C2)C1=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CC5(C4)CCOCC5)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)CCC(C)(C)C1 |c:8|

BDBM552907

CC12CC(C1)(C2)C1=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)CCC(C)(C)C1 |c:8|

BDBM552914

CC12CC(C1)(C2)C1=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC[C@H]4CC[C@](C)(O)CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)CCC(C)(C)C1 |r,wU:31.33,34.37,wD:34.38,c:8,(-4.3,-13.49,;-2.96,-12.73,;-2.56,-11.24,;-1.08,-11.64,;-1.32,-13.28,;-1.72,-12.77,;.26,-10.87,;.26,-9.33,;-1.08,-8.56,;-1.08,-7.02,;-2.41,-6.25,;-2.41,-4.71,;-1.08,-3.94,;.26,-4.71,;.26,-6.25,;-1.08,-2.4,;.26,-1.63,;.26,-.09,;-1.08,.68,;-1.08,2.22,;-2.41,2.99,;.26,2.99,;1.59,2.22,;.82,.89,;2.92,1.45,;2.36,3.56,;3.9,3.56,;4.67,4.89,;3.9,6.22,;4.67,7.56,;6.21,7.56,;7.04,8.99,;6.21,10.42,;7.04,11.84,;8.69,11.84,;10.11,12.67,;8.69,13.49,;9.51,10.42,;8.69,8.99,;2.33,6.27,;1.59,4.89,;1.56,7.61,;2.33,8.94,;.02,7.61,;-2.41,-.09,;-3.74,.68,;-5.08,-.09,;-5.08,-1.63,;-6.41,-2.4,;-7.74,-1.63,;-9.21,-2.1,;-10.11,-.86,;-9.21,.39,;-7.74,-.09,;-6.41,.68,;-2.41,-1.63,;1.59,-8.56,;2.92,-9.33,;2.92,-10.87,;4.41,-10.47,;3.32,-12.35,;1.59,-11.64,)|

BDBM552912

CC12CC(C1)(C2)C1=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4(F)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)CCC(C)(C)C1 |c:8|

BDBM552931

CC12CC(C1)(C2)C1=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCC(O)CC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)CC(C)(C)CC1 |r,c:8|

BDBM552930

CC12CC(C1)(C2)C1=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)CC(C)(C)CC1 |r,c:8|

BDBM555314

CCC12CC(C1)(C2)C1=C(CN2CCN(CC2)c2ccc(C(=O)CS(=O)(=O)c3ccc(NC[C@H]4CC[C@](C)(O)CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)CCC(C)(C)C1 |r,wU:32.34,35.38,wD:35.39,$;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,c:9,(-5.5,-12.53,;-4.17,-13.3,;-2.83,-12.53,;-2.43,-11.04,;-.95,-11.44,;-1.34,-12.93,;-1.58,-12.53,;.39,-10.67,;.39,-9.13,;-.95,-8.36,;-.95,-6.82,;-2.28,-6.05,;-2.28,-4.51,;-.95,-3.74,;.39,-4.51,;.39,-6.05,;-.95,-2.2,;.39,-1.43,;.39,.11,;-.95,.88,;-.95,2.42,;-2.28,3.19,;.39,3.19,;1.72,2.42,;3.05,1.65,;.95,1.09,;2.49,3.76,;4.03,3.76,;4.8,5.09,;4.03,6.42,;4.8,7.76,;6.34,7.76,;7.11,9.09,;6.34,10.42,;7.11,11.76,;8.65,11.76,;9.98,12.53,;8.65,13.3,;9.42,10.42,;8.65,9.09,;2.49,6.42,;1.72,5.09,;1.72,7.76,;.18,7.76,;2.49,9.09,;-2.28,.11,;-3.61,.88,;-4.95,.11,;-4.95,-1.43,;-6.28,-2.2,;-7.61,-1.43,;-9.08,-1.9,;-9.98,-.66,;-9.08,.59,;-7.61,.11,;-6.28,.88,;-2.28,-1.43,;1.72,-8.36,;3.05,-9.13,;3.05,-10.67,;4.59,-10.67,;3.82,-12,;1.72,-11.44,)|

BDBM555312

CCC12CC(C1)(C2)C1=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(CCC4(F)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)CCC(C)(C)C1 |$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,c:9|

BDBM555311

CCC12CC(C1)(C2)C1=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(CCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)CCC(C)(C)C1 |$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,c:9|

BDBM555313

CCC12CC(C1)(C2)C1=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4(F)CCOCC4)c(c3)[N+](O)=O)c(Oc3cnc4[nH]ccc4c3)c2)CCC(C)(C)C1 |c:9|

BDBM552936

CCC12CC(C1)(C2)C1=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN(C)CCO)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)CCC(C)(C)C1 |r,c:9|

BDBM50254596

CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NC(=O)COc2ccccc2)cc1C(=O)N1CCc2ccccc2C1

BDBM50254595

CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NC(=O)CSc2ccccc2)cc1C(=O)N1CCc2ccccc2C1

BDBM50254593

CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(OCC(=O)c2ccccc2)cc1C(=O)N1CCc2ccccc2C1

BDBM50254594

CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(OCC(O)=O)cc1C(=O)N1CCc2ccccc2C1

BDBM50254533

CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccccc1C(=O)N1CCc2ccccc2C1

BDBM50254588

CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(N)cc1C(=O)N1CCc2ccccc2C1

BDBM50254535

CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(N)cc1C(=O)N1Cc2ccccc2C[C@H]1CN |r|

BDBM50254591

CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(NC(=O)COc2ccccc2)cc1C(=O)N1CCc2ccccc2C1

BDBM50254536

CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(NC(=O)COc2ccccc2)cc1C(=O)N1Cc2ccccc2C[C@H]1CN |r|

BDBM50254590

CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(NC(=O)Cc2ccccc2)cc1C(=O)N1CCc2ccccc2C1

BDBM50254587

CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccccc1C(=O)N1Cc2ccccc2C[C@H]1CN |r|

BDBM50254534

CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccccc1C(=O)N1Cc2ccccc2C[C@H]1CO |r|

BDBM555343

CCN(CCO)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC2=C(CC(C)(C)CC2)C23CC(C2)(C3)C(F)F)CC1 |r,t:51|

BDBM50357612

CCNC(=O)c1cccc2c1nc(Nc1ccccc1Cl)c1ccncc21

BDBM50254528

CCOC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1-n1nc(cc1C)C(=O)N(c1ccccc1)c1ccccc1 |r|

BDBM50372172

CCOC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(Br)cc2)C1=O

BDBM50372173

CCOC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(OCOc3ccc(\C=C4/SC(=S)N([C@@H](Cc5ccccc5)C(=O)OCC)C4=O)cc3)cc2)C1=O

BDBM50568330

CCc1ccccc1-c1cn(CCOc2cccc3ccccc23)c2cccc(-c3ccccc3C(O)=O)c12

BDBM555338

CN(C)C1CCN(CC[C@H](CSc2ccccc2)Nc2ccc(cc2S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c2ccc(cc2)N2CCN(CC3=C(CC(C)(C)CC3)C34CC(C3)(C4)C(F)F)CC2)CC1 |r,t:52|

BDBM50274315

CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|

BDBM552939

CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC2=C(CC(C)(C)CC2)C23CC(C)(C2)C3)CC1 |r,t:48|

BDBM555339

CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC2=C(CC(C)(C)CC2)C23CC(C2)(C3)C(F)F)CC1 |r,t:48|

BDBM50274325

CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC2=C(CCC(C)(C)C2)c2ccc(Cl)cc2)CC1 |r,t:44|

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|

BDBM50254530

CN(C)C[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1-n1nc(cc1C)C(=O)N(c1ccccc1)c1ccccc1 |r|

BDBM50208819

CN(CCCc1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCc3ccc(cc3C2)S(=O)(=O)NCCc2ccccc2)c(O)c(O)c1O

BDBM552935

CN(CCO)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC2=C(CC(C)(C)CC2)C23CC(C)(C2)C3)CC1 |r,t:50|

BDBM555336

CN(CCO)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC2=C(CC(C)(C)CC2)C23CC(C2)(C3)C(F)F)CC1 |r,t:50|

BDBM552910

CN1CCC(F)(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)C34CC(C)(C3)C4)CC2)CC1 |t:48|

BDBM552927

CN1CCC(F)(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)C34CC(C3)(C4)C(F)F)CC2)CC1 |t:48|

BDBM50357598

CN1CCN(CC1)c1ccc(Nc2nc3c(cccc3c3cnccc23)-c2nnc[nH]2)c(Cl)c1

BDBM552913

CN1CCOC(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)C34CC(C)(C3)C4)CC2)C1 |t:48|

BDBM50357618

CNC(=O)c1cccc2c1nc(Nc1c(F)cccc1F)c1ccncc21

BDBM50357611

CNC(=O)c1cccc2c1nc(Nc1cccc(OC)c1Cl)c1ccncc21

BDBM50357610

CNC(=O)c1cccc2c1nc(Nc1ccccc1Cl)c1ccncc21

BDBM50357616

CNC(=O)c1cccc2c1nc(Nc1ccccc1F)c1ccncc21

BDBM50254531

CNC[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1-n1nc(cc1C)C(=O)N(c1ccccc1)c1ccccc1 |r|

BDBM50254529

COC(=O)C[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1-n1nc(cc1C)C(=O)N(c1ccccc1)c1ccccc1 |r|

BDBM50376902

COC1=CC(=N\C1=C/c1[nH]c(C)cc1C)c1cc2ccccc2[nH]1 |c:4,t:2|

BDBM50262591

COCCOCOc1ccc2N([C@@H](CC(O)=O)[C@H](O)[C@@H](NC(=O)OCC=C)c2c1)C(=O)c1ccc(cc1)-c1ccccc1 |r|

BDBM50262590

COCCOCOc1ccc2N([C@@H](CC(O)=O)[C@H](O)[C@@H](NC(=O)OCC=C)c2c1)C(=O)c1ccc2ccccc2c1 |r|

BDBM50263298

COCCOCOc1ccc2N([C@@H](CC(O)=O)[C@H](O)[C@@H](NC(=O)OCC=C)c2c1)C(=O)c1ccccc1 |r|

BDBM50262594

COCCOCOc1ccc2N([C@@H](CC(O)=O)[C@H](O)[C@@H](NC(=O)c3ccc(cc3)-c3ccccc3)c2c1)C(=O)OCC[Si](C)(C)C |r|

BDBM50262597

COCCOCOc1ccc2N([C@@H](CC(O)=O)[C@H](O)[C@@H](NC(=O)c3ccc(cc3)-c3ccccc3)c2c1)C(=O)c1ccc(cc1)-c1ccccc1 |r|

BDBM50262593

COCCOCOc1ccc2N([C@@H](CC(O)=O)[C@H](O)[C@@H](NC(=O)c3ccc4ccccc4c3)c2c1)C(=O)OCC[Si](C)(C)C |r|

BDBM50262596

COCCOCOc1ccc2N([C@@H](CC(O)=O)[C@H](O)[C@@H](NC(=O)c3ccc4ccccc4c3)c2c1)C(=O)c1ccc2ccccc2c1 |r|

BDBM50262592

COCCOCOc1ccc2N([C@@H](CC(O)=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c2c1)C(=O)OCC[Si](C)(C)C |r|

BDBM50262595

COCCOCOc1ccc2N([C@@H](CC(O)=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c2c1)C(=O)c1ccccc1 |r|

BDBM50254525

COC[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1-n1nc(cc1C)C(=O)N(c1ccccc1)c1ccccc1 |r|

BDBM50357599

COc1cccc(Nc2nc3c(cccc3c3cnccc23)-c2nnc[nH]2)c1Cl

BDBM50568340

COc1cccc(c1)-c1cn(Cc2cccc3ccccc23)c2cccc(-c3ccccc3C(O)=O)c12

BDBM50568332

COc1ccccc1-c1cn(CCOc2cccc3ccccc23)c2cccc(-c3ccccc3C(O)=O)c12

BDBM50568337

COc1ccccc1-c1cn(Cc2cccc3ccccc23)c2cccc(-c3ccccc3C(O)=O)c12

BDBM50254582

C[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1-n1nc(cc1C)C(=O)N(c1ccccc1)c1ccccc1 |r|

BDBM50254583

Cc1c(Br)c(nn1-c1ccccc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)N(c1ccccc1)c1ccccc1 |r|

BDBM50254585

Cc1c(Cl)c(nn1-c1ccccc1C(=O)N1Cc2ccccc2C[C@H]1CN)C(=O)N(c1ccccc1)c1ccccc1 |r|

BDBM50254584

Cc1c(Cl)c(nn1-c1ccccc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)N(c1ccccc1)c1ccccc1 |r|

BDBM50424726

Cc1cc(OCCCc2c(sc3cc(Cl)ccc23)C(O)=O)cc(C)c1Cl

BDBM50424727

Cc1cc(OCCCc2c(sc3ccccc23)C(O)=O)cc(C)c1Cl

BDBM50254521

Cc1cc(nn1-c1ccccc1C(=O)N1CCc2ccccc2C1)C(=O)N(C1CCCCC1)c1ccccc1

BDBM50254522

Cc1cc(nn1-c1ccccc1C(=O)N1CCc2ccccc2C1)C(=O)N(c1ccccc1)c1ccccc1

BDBM50254576

Cc1cc(nn1-c1ccccc1C(=O)N1CCc2ccccc2C1)C(=O)N1CCc2ccccc2C1

BDBM50254524

Cc1cc(nn1-c1ccccc1C(=O)N1Cc2ccccc2C[C@H]1CN)C(=O)N(c1ccccc1)c1ccccc1 |r|

BDBM50568329

Cc1ccc(cc1)-c1cn(CCOc2cccc3ccccc23)c2cccc(-c3ccccc3C(O)=O)c12

BDBM50568334

Cc1ccc(cc1)-c1cn(Cc2cccc3ccccc23)c2cccc(-c3ccccc3C(O)=O)c12

BDBM50568333

Cc1cccc(-c2cn(CCOc3cccc4ccccc34)c3cccc(-c4ccccc4C(O)=O)c23)c1C

BDBM50568322

Cc1cccc(c1)-c1cn(CCCOc2cccc3ccccc23)c2cccc(-c3ccccc3C(O)=O)c12

BDBM50568325

Cc1cccc(c1)-c1cn(CCOc2cccc3ccccc23)c2cccc(-c3ccccc3C(O)=O)c12

BDBM50568335

Cc1cccc(c1)-c1cn(Cc2cccc3ccccc23)c2cccc(-c3ccccc3C(O)=O)c12

BDBM50568328

Cc1ccccc1-c1cn(CCOc2cccc3ccccc23)c2cccc(-c3ccccc3C(O)=O)c12

BDBM50568336

Cc1ccccc1-c1cn(Cc2cccc3ccccc23)c2cccc(-c3ccccc3C(O)=O)c12

BDBM50357597

Clc1cc(OCCN2CCOCC2)ccc1Nc1nc2c(cccc2c2cnccc12)-c1nnc[nH]1

BDBM50357587

Clc1ccccc1Nc1nc2c(cccc2c2cnccc12)-c1nnc[nH]1

BDBM50357607

Fc1cc(OCCN2CCCC2)ccc1Nc1nc2c(cccc2c2cnccc12)-c1nnc[nH]1

BDBM50357602

Fc1cccc(F)c1Nc1nc2c(cccc2c2cnccc12)-c1nnc[nH]1

BDBM50357591

Fc1ccccc1Nc1nc2c(cccc2c2cnccc12)-c1nnc[nH]1

BDBM50357617

NC(=O)c1cccc2c1nc(Nc1c(F)cccc1F)c1ccncc21

BDBM50202277

OC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(Br)cc2)C1=O

BDBM50372176

OC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(OCCOCCOCCOc3ccc(\C=C4/SC(=S)N([C@@H](Cc5ccccc5)C(O)=O)C4=O)cc3)cc2)C1=O

BDBM50372180

OC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(OCCOCCOc3ccc(\C=C4/SC(=S)N([C@@H](Cc5ccccc5)C(O)=O)C4=O)cc3)cc2)C1=O

BDBM50372177

OC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(OCCOc3ccc(\C=C4/SC(=S)N([C@@H](Cc5ccccc5)C(O)=O)C4=O)cc3)cc2)C1=O

BDBM50372178

OC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(OCOc3ccc(\C=C4/SC(=S)N([C@@H](Cc5ccccc5)C(O)=O)C4=O)cc3)cc2)C1=O

BDBM50568324

OC(=O)c1ccc(Cl)cc1-c1cccc2n(CCCOc3cccc4ccccc34)ccc12

BDBM50060993

OC(=O)c1ccc(cc1)-c1ccc(F)cc1

BDBM50270876

OC(=O)c1ccc(cc1\C=C\c1cccc(c1)-c1ccccc1)-c1ccc(F)cc1

BDBM50568323

OC(=O)c1ccccc1-c1cccc2n(CCCOc3cccc4ccccc34)cc(-c3cccc(c3)C(F)(F)F)c12

BDBM50568321

OC(=O)c1ccccc1-c1cccc2n(CCCOc3cccc4ccccc34)ccc12

BDBM50568327

OC(=O)c1ccccc1-c1cccc2n(CCOc3cccc4ccccc34)cc(-c3cccc(Cl)c3)c12

BDBM50568326

OC(=O)c1ccccc1-c1cccc2n(CCOc3cccc4ccccc34)cc(-c3cccc(c3)C(F)(F)F)c12

BDBM50568338

OC(=O)c1ccccc1-c1cccc2n(Cc3cccc4ccccc34)cc(-c3cccc(Cl)c3)c12

BDBM50568339

OC(=O)c1ccccc1-c1cccc2n(Cc3cccc4ccccc34)cc(-c3cccc(c3)C(F)(F)F)c12

BDBM50568341

OC(=O)c1ccccc1-c1cccc2n(Cc3cccc4ccccc34)cc(-c3ccccc3)c12

BDBM50424737

OC(=O)c1oc2ccccc2c1CCCOc1cccc2ccccc12

BDBM50424725

OC(=O)c1sc2cc(Cl)ccc2c1CCCOc1cccc2ccccc12

BDBM50424738

OC(=O)c1sc2ccccc2c1CCCOc1cccc2ccccc12

BDBM552945

OC1CCN(CC[C@H](CSc2ccccc2)Nc2ccc(cc2S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c2ccc(cc2)N2CCN(CC3=C(CC4(CCC4)CC3)C34CC(C3)(C4)C(F)F)CC2)CC1 |t:50|

BDBM50371611

Oc1c(O)c(cc(C(=O)c2ccc(Oc3ccccc3)cc2)c1O)C(=O)c1nc2ccccc2s1

BDBM50371612

Oc1c(O)c(cc(C(=O)c2cccc3ccccc23)c1O)C(=O)c1ccc(Oc2ccccc2)cc1

BDBM50357594

Oc1ccc(Nc2nc3c(cccc3c3cnccc23)-c2nnc[nH]2)c(Cl)c1

BDBM50270875

Oc1cccc2CCCCc12

BDBM50373072

[O-][N+](=O)c1cc(ccc1NCCS1=CC=CC=C1)S(=O)(=O)NC(=O)c1ccc(cc1)-c1ccc(F)cc1 |c:15,17,t:13,(4.19,-10.53,;2.85,-9.76,;2.84,-8.22,;1.51,-10.54,;.19,-9.79,;-1.13,-10.55,;-1.14,-12.08,;.19,-12.85,;1.51,-12.08,;2.85,-12.85,;4.18,-12.08,;5.52,-12.85,;6.85,-12.08,;8.19,-12.85,;9.52,-12.08,;9.52,-10.54,;8.17,-9.77,;6.85,-10.55,;-2.46,-9.78,;-1.69,-8.45,;-3.21,-11.13,;-3.79,-9.02,;-5.13,-9.8,;-6.46,-9.04,;-5.12,-11.34,;-3.78,-12.11,;-3.77,-13.65,;-5.1,-14.42,;-6.44,-13.66,;-6.45,-12.13,;-5.09,-15.96,;-6.42,-16.73,;-6.42,-18.28,;-5.09,-19.05,;-5.09,-20.59,;-3.74,-18.28,;-3.75,-16.72,)|