Calculated Values
MW: 1,074.07 Hbond donors: 3 Hbond acceptors: 16 cLogP: 7.77 TPSA: 223.22 SMILES: show COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(CCCCCCOCCOCCOCCCCCC(=O)Nc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)c(OC)cc23)c(Cl)cc1Cl Linker type: non-PEG polyether Incubation time (hours): 24 Cells: K562 CML IC50: = 0.91 nM Off-targets reported?: No Comments: c-ABL and BCR-ABL degredation Contributed by: Efrat Resnick
Calculated Values
MW: 1,072.10 Hbond donors: 3 Hbond acceptors: 15 cLogP: 8.92 TPSA: 213.99 SMILES: show COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(CCCCCCOCCCCCOCCCCCC(=O)Nc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)c(OC)cc23)c(Cl)cc1Cl Linker type: non-PEG polyether Incubation time (hours): 24 Cells: K562 CML IC50: = 2.8 nM Off-targets reported?: No Comments: c-ABL and BCR-ABL degredation Contributed by: Efrat Resnick
Calculated Values
MW: 973.91 Hbond donors: 3 Hbond acceptors: 15 cLogP: 6.19 TPSA: 213.99 SMILES: show COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(CCCCCCOCCOCC(=O)Nc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)c(OC)cc23)c(Cl)cc1Cl Linker type: non-PEG polyether Incubation time (hours): 24 Cells: K562 CML IC50: = 0.28 nM Off-targets reported?: No Comments: c-ABL and BCR-ABL degredation Contributed by: Efrat Resnick
Calculated Values
MW: 1,150.12 Hbond donors: 3 Hbond acceptors: 19 cLogP: 6.26 TPSA: 250.91 SMILES: show COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(CCCCCCOCCOCCOCCOCCOCCOCC(=O)Nc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)c(OC)cc23)c(Cl)cc1Cl Linker type: non-PEG polyether Incubation time (hours): 24 Cells: K562 CML IC50: = 0.38 nM Off-targets reported?: No Comments: c-ABL and BCR-ABL degredation Contributed by: Efrat Resnick |
Calculated Values
MW: 1,156.96 Hbond donors: 5 Hbond acceptors: 16 cLogP: 9.89 TPSA: 216.37 SMILES: show Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCCCCCOCCCCCOCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(-c4scnc4C)cc3)C(C)(C)C)CC2)n1 Linker type: non-PEG polyether Incubation time (hours): 24 Cells: K562 CML IC50: = 2.6 nM Off-targets reported?: No Comments: c-ABL degredation Contributed by: Efrat Resnick
Calculated Values
MW: 1,058.77 Hbond donors: 5 Hbond acceptors: 16 cLogP: 7.16 TPSA: 216.37 SMILES: show Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCCCCCOCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(-c4scnc4C)cc3)C(C)(C)C)CC2)n1 Linker type: non-PEG polyether Incubation time (hours): 24 Cells: K562 CML IC50: = 0.36 nM Off-targets reported?: No Comments: c-ABL degredation Contributed by: Efrat Resnick
Calculated Values
MW: 1,234.98 Hbond donors: 5 Hbond acceptors: 20 cLogP: 7.22 TPSA: 253.29 SMILES: show Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCCCCCOCCOCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(-c4scnc4C)cc3)C(C)(C)C)CC2)n1 Linker type: non-PEG polyether Incubation time (hours): 24 Cells: K562 CML IC50: = 0.28 nM Off-targets reported?: No Comments: c-ABL degredation Contributed by: Efrat Resnick |
Calculated Values
MW: 901.45 Hbond donors: 4 Hbond acceptors: 15 cLogP: 4.95 TPSA: 217.39 SMILES: show Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCCCCCOCCOCC(=O)Nc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)n1 Linker type: non-PEG polyether Incubation time (hours): 24 Cells: K562 CML IC50: = 0.28 nM Off-targets reported?: No Comments: c-ABL and BCR-ABL degredation Contributed by: Efrat Resnick
Calculated Values
MW: 1,001.61 Hbond donors: 4 Hbond acceptors: 16 cLogP: 6.53 TPSA: 226.62 SMILES: show Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCCCCCOCCOCCOCCCCCC(=O)Nc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)n1 Linker type: non-PEG polyether Incubation time (hours): 24 Cells: K562 CML IC50: = 0.60 nM Off-targets reported?: No Comments: c-ABL and BCR-ABL degredation Contributed by: Efrat Resnick
Calculated Values
MW: 999.64 Hbond donors: 4 Hbond acceptors: 15 cLogP: 7.69 TPSA: 217.39 SMILES: show Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCCCCCOCCCCCOCCCCCC(=O)Nc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)n1 Linker type: non-PEG polyether Incubation time (hours): 24 Cells: K562 CML IC50: = 1.3 nM Off-targets reported?: No Comments: c-ABL and BCR-ABL degredation Contributed by: Efrat Resnick
Calculated Values
MW: 1,077.66 Hbond donors: 4 Hbond acceptors: 19 cLogP: 5.02 TPSA: 254.31 SMILES: show Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCCCCCOCCOCCOCCOCCOCCOCC(=O)Nc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)n1 Linker type: non-PEG polyether Incubation time (hours): 24 Cells: K562 CML IC50: = 0.26 nM Off-targets reported?: No Comments: c-ABL and BCR-ABL degredation Contributed by: Efrat Resnick |
Calculated Values
MW: 1,307.45 Hbond donors: 4 Hbond acceptors: 20 cLogP: 8.46 TPSA: 249.89 SMILES: show COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(CCCCCCOCCOCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCc5ccc(-c6scnc6C)cc5)C(C)(C)C)CC4)c(OC)cc23)c(Cl)cc1Cl Linker type: non-PEG polyether Incubation time (hours): 24 Cells: K562 CML IC50: = 0.57 nM Off-targets reported?: No Contributed by: Efrat Resnick
Calculated Values
MW: 1,131.24 Hbond donors: 4 Hbond acceptors: 16 cLogP: 8.40 TPSA: 212.97 SMILES: show COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(CCCCCCOCCOCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCc5ccc(-c6scnc6C)cc5)C(C)(C)C)CC4)c(OC)cc23)c(Cl)cc1Cl Linker type: non-PEG polyether Incubation time (hours): 24 Cells: K562 CML IC50: = 1.3 nM Off-targets reported?: No Contributed by: Efrat Resnick
Calculated Values
MW: 1,229.43 Hbond donors: 4 Hbond acceptors: 16 cLogP: 11.13 TPSA: 212.97 SMILES: show COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(CCCCCCOCCCCCOCCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCc5ccc(-c6scnc6C)cc5)C(C)(C)C)CC4)c(OC)cc23)c(Cl)cc1Cl Linker type: non-PEG polyether Incubation time (hours): 24 Cells: K562 CML IC50: = 4.6 nM Off-targets reported?: No Contributed by: Efrat Resnick
Calculated Values
MW: 1,231.40 Hbond donors: 4 Hbond acceptors: 17 cLogP: 9.97 TPSA: 222.20 SMILES: show COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(CCCCCCOCCOCCOCCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCc5ccc(-c6scnc6C)cc5)C(C)(C)C)CC4)c(OC)cc23)c(Cl)cc1Cl Linker type: non-PEG polyether Incubation time (hours): 24 Cells: K562 CML IC50: = 1.4 nM Off-targets reported?: No Contributed by: Efrat Resnick |
Calculated Values
MW: 1,094.40 Hbond donors: 5 Hbond acceptors: 15 cLogP: 7.80 TPSA: 216.37 SMILES: show Cc1ccc(NC(=O)c2ccc(CN3CCN(CCCCCCOCCOCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCc4ccc(-c5scnc5C)cc4)C(C)(C)C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 Linker type: non-PEG polyether Incubation time (hours): 24 Cells: K562 CML IC50: = 5.8 nM Off-targets reported?: No Contributed by: Efrat Resnick
Calculated Values
MW: 1,192.59 Hbond donors: 5 Hbond acceptors: 15 cLogP: 10.53 TPSA: 216.37 SMILES: show Cc1ccc(NC(=O)c2ccc(CN3CCN(CCCCCCOCCCCCOCCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCc4ccc(-c5scnc5C)cc4)C(C)(C)C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 Linker type: non-PEG polyether Incubation time (hours): 24 Cells: K562 CML IC50: = 19 nM Off-targets reported?: No Contributed by: Efrat Resnick
Calculated Values
MW: 1,194.56 Hbond donors: 5 Hbond acceptors: 16 cLogP: 9.37 TPSA: 225.60 SMILES: show Cc1ccc(NC(=O)c2ccc(CN3CCN(CCCCCCOCCOCCOCCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCc4ccc(-c5scnc5C)cc4)C(C)(C)C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 Linker type: non-PEG polyether Incubation time (hours): 24 Cells: K562 CML IC50: = 4.3 nM Off-targets reported?: No Contributed by: Efrat Resnick
Calculated Values
MW: 1,270.61 Hbond donors: 5 Hbond acceptors: 19 cLogP: 7.86 TPSA: 253.29 SMILES: show Cc1ccc(NC(=O)c2ccc(CN3CCN(CCCCCCOCCOCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCc4ccc(-c5scnc5C)cc4)C(C)(C)C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 Linker type: non-PEG polyether Incubation time (hours): 24 Cells: K562 CML IC50: = 1.7 nM Off-targets reported?: No Contributed by: Efrat Resnick |
Calculated Values
MW: 937.07 Hbond donors: 4 Hbond acceptors: 14 cLogP: 5.59 TPSA: 217.39 SMILES: show Cc1ccc(NC(=O)c2ccc(CN3CCN(CCCCCCOCCOCC(=O)Nc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 Linker type: non-PEG polyether Incubation time (hours): 24 Cells: K562 CML IC50: = 4.7 nM Off-targets reported?: No Contributed by: Efrat Resnick
Calculated Values
MW: 1,037.23 Hbond donors: 4 Hbond acceptors: 15 cLogP: 7.17 TPSA: 226.62 SMILES: show Cc1ccc(NC(=O)c2ccc(CN3CCN(CCCCCCOCCOCCOCCCCCC(=O)Nc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 Linker type: non-PEG polyether Incubation time (hours): 24 Cells: K562 CML IC50: = 6.2 nM Off-targets reported?: No Contributed by: Efrat Resnick
Calculated Values
MW: 1,035.26 Hbond donors: 4 Hbond acceptors: 14 cLogP: 8.32 TPSA: 217.39 SMILES: show Cc1ccc(NC(=O)c2ccc(CN3CCN(CCCCCCOCCCCCOCCCCCC(=O)Nc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 Linker type: non-PEG polyether Incubation time (hours): 24 Cells: K562 CML IC50: = 24 nM Off-targets reported?: No Contributed by: Efrat Resnick
Calculated Values
MW: 1,113.28 Hbond donors: 4 Hbond acceptors: 18 cLogP: 5.66 TPSA: 254.31 SMILES: show Cc1ccc(NC(=O)c2ccc(CN3CCN(CCCCCCOCCOCCOCCOCCOCCOCC(=O)Nc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 Linker type: non-PEG polyether Incubation time (hours): 24 Cells: K562 CML IC50: = 3.0 nM Off-targets reported?: No Contributed by: Efrat Resnick |