Calculated Values
MW: 957.47 Hbond donors: 2 Hbond acceptors: 18 cLogP: 3.64 TPSA: 232.58 SMILES: show Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCn1cc(COCCOCCOCCOCCOc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)nn1)c1nnc(C)n1-2 Linker type: PEG Incubation time (hours): 4 Cells: H661 DC50: = 0.20 μM Dmax: > 90 % Off-targets reported?: No Contributed by: Ella Livnah
Calculated Values
MW: 781.25 Hbond donors: 2 Hbond acceptors: 14 cLogP: 3.58 TPSA: 195.66 SMILES: show Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCn1cc(COc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)nn1)c1nnc(C)n1-2 Linker type: PEG Incubation time (hours): 4 Cells: H661 DC50: = 0.49 μM Off-targets reported?: No Contributed by: Ella Livnah
Calculated Values
MW: 913.41 Hbond donors: 2 Hbond acceptors: 17 cLogP: 3.63 TPSA: 223.35 SMILES: show Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCn1cc(COCCOCCOCCOc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)nn1)c1nnc(C)n1-2 Linker type: PEG Incubation time (hours): 4 Cells: H661 DC50: = 0.45 μM Off-targets reported?: No Contributed by: Ella Livnah
Calculated Values
MW: 869.36 Hbond donors: 2 Hbond acceptors: 16 cLogP: 3.61 TPSA: 214.12 SMILES: show Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCn1cc(COCCOCCOc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)nn1)c1nnc(C)n1-2 Linker type: PEG Incubation time (hours): 4 Cells: H661 DC50: > 5 μM Off-targets reported?: No Contributed by: Ella Livnah
Calculated Values
MW: 825.31 Hbond donors: 2 Hbond acceptors: 15 cLogP: 3.59 TPSA: 204.89 SMILES: show Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCn1cc(COCCOc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)nn1)c1nnc(C)n1-2 Linker type: PEG Incubation time (hours): 4 Cells: H661 DC50: > 5 μM Off-targets reported?: No Contributed by: Ella Livnah |
Calculated Values
MW: 995.63 Hbond donors: 4 Hbond acceptors: 16 cLogP: 5.36 TPSA: 223.74 SMILES: show Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCc2cn(CCNC(=O)C[C@@H]3N=C(c4ccc(Cl)cc4)c4c(sc(C)c4C)-n4c(C)nnc43)nn2)C(C)(C)C)cc1 Linker type: PEG Incubation time (hours): 4 Cells: H661 DC50: = 0.059 μM Off-targets reported?: No Contributed by: Ella Livnah
Calculated Values
MW: 1,171.84 Hbond donors: 4 Hbond acceptors: 20 cLogP: 5.42 TPSA: 260.66 SMILES: show Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCc2cn(CCNC(=O)C[C@@H]3N=C(c4ccc(Cl)cc4)c4c(sc(C)c4C)-n4c(C)nnc43)nn2)C(C)(C)C)cc1 Linker type: PEG Incubation time (hours): 4 Cells: H661 DC50: = 0.63 μM Off-targets reported?: No Contributed by: Ella Livnah
Calculated Values
MW: 1,083.74 Hbond donors: 4 Hbond acceptors: 18 cLogP: 5.39 TPSA: 242.20 SMILES: show Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCc2cn(CCNC(=O)C[C@@H]3N=C(c4ccc(Cl)cc4)c4c(sc(C)c4C)-n4c(C)nnc43)nn2)C(C)(C)C)cc1 Linker type: PEG Incubation time (hours): 4 Cells: H661 DC50: = 0.24 μM Off-targets reported?: No Contributed by: Ella Livnah
Calculated Values
MW: 1,127.79 Hbond donors: 4 Hbond acceptors: 19 cLogP: 5.40 TPSA: 251.43 SMILES: show Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCOCc2cn(CCNC(=O)C[C@@H]3N=C(c4ccc(Cl)cc4)c4c(sc(C)c4C)-n4c(C)nnc43)nn2)C(C)(C)C)cc1 Linker type: PEG Incubation time (hours): 4 Cells: H661 DC50: = 0.46 μM Off-targets reported?: No Contributed by: Ella Livnah
Calculated Values
MW: 1,039.69 Hbond donors: 4 Hbond acceptors: 17 cLogP: 5.37 TPSA: 232.97 SMILES: show Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCc2cn(CCNC(=O)C[C@@H]3N=C(c4ccc(Cl)cc4)c4c(sc(C)c4C)-n4c(C)nnc43)nn2)C(C)(C)C)cc1 Linker type: PEG Incubation time (hours): 4 Cells: H661 DC50: = 0.083 μM Off-targets reported?: No Contributed by: Ella Livnah |