Calculated Values
MW: 1,095.81 Hbond donors: 3 Hbond acceptors: 12 cLogP: 9.26 TPSA: 194.23 SMILES: show Cc1cc(C(C(=O)N2C[C@H](O)CC2C(=O)NC(CC(=O)N2CCC(N3CCC(C#Cc4ccc(C(=O)NC5C(C)(C)C(Oc6ccc(C#N)c(Cl)c6)C5(C)C)cc4)CC3)CC2)c2ccc(-c3scnc3C)cc2)C(C)C)on1 Linker type: Alkane Incubation time (hours): 6 Cells: LnCap DC50: = 8.0 nM Off-targets reported?: No Contributed by: Paul Gehrtz |
Calculated Values
MW: 1,115.32 Hbond donors: 2 Hbond acceptors: 13 cLogP: 8.46 TPSA: 192.34 SMILES: show Cc1cc(C(C(=O)N2C[C@H](O)CC2C(=O)NC(CC(=O)N2CCC(N3CCC(C#Cc4ccc(N5C(=S)N(c6cnc(C#N)c(C(F)(F)F)c6)C(=O)C56CCC6)cc4)CC3)CC2)c2ccc(-c3scnc3C)cc2)C(C)C)on1 Linker type: Alkane Incubation time (hours): 6 Cells: LnCap Off-targets reported?: No Contributed by: Paul Gehrtz |
Calculated Values
MW: 1,102.32 Hbond donors: 2 Hbond acceptors: 12 cLogP: 8.93 TPSA: 179.45 SMILES: show Cc1cc(C(C(=O)N2C[C@H](O)CC2C(=O)NC(CC(=O)N2CCC(N3CCC(C#Cc4ccc(N5C(=S)N(c6ccc(C#N)c(C(F)(F)F)c6)C(=O)C5(C)C)cc4)CC3)CC2)c2ccc(-c3scnc3C)cc2)C(C)C)on1 Linker type: Alkane Incubation time (hours): 6 Cells: LnCap Off-targets reported?: No Contributed by: Paul Gehrtz |
Calculated Values
MW: 1,125.31 Hbond donors: 4 Hbond acceptors: 14 cLogP: 7.17 TPSA: 239.37 SMILES: show Cc1cc(C(C(=O)N2C[C@H](O)CC2C(=O)NC(CC(=O)N2CCC(N3CCC(C#Cc4ccc(S(=O)(=O)CC(C)(O)C(=O)Nc5ccc(C#N)c(C(F)(F)F)c5)cc4)CC3)CC2)c2ccc(-c3scnc3C)cc2)C(C)C)on1 Linker type: Alkane Incubation time (hours): 6 Cells: LnCap Off-targets reported?: No Contributed by: Paul Gehrtz |