Calculated Values
MW: 1,540.37 Hbond donors: 4 Hbond acceptors: 18 cLogP: 12.53 TPSA: 240.07 SMILES: show O=C(C1=CC=C(C=C1)N2CCN(CC2)CC3=C(CCC(C)(C3)C)C4=CC=C(C=C4)Cl)NS(=O)(C5=CC=C(C(S(=O)(C(F)(F)F)=O)=C5)N[C@@H](CSC6=CC=CC=C6)CCN7CCN(CC7)C(CCCOC8=CC=CC(C(C9=CSC([C@H]%10N(CCC%10)C([C@H](NC([C@H](C)NC)=O)C%11CCCCC%11)=O)=N9)=O)=C8)=O)=O Linker type: Alkane Incubation time (hours): 72 Cells: MyLa1929 EC50 (cells): = 997 nM Contributed by: Ronen Gabizon
Calculated Values
MW: 1,709.56 Hbond donors: 4 Hbond acceptors: 23 cLogP: 12.35 TPSA: 289.24 SMILES: show O=C(NS(=O)(C1=CC=C(N[C@H](CCN2CCN(C(CCCN3N=NC(COCCOCCOC4=CC=CC(C(C5=CSC([C@H]6N(C([C@@H](C7CCCCC7)NC([C@@H](NC)C)=O)=O)CCC6)=N5)=O)=C4)=C3)=O)CC2)CSC8=CC=CC=C8)C(S(=O)(C(F)(F)F)=O)=C1)=O)C9=CC=C(N%10CCN(CC%11=C(C%12=CC=C(Cl)C=C%12)CCC(C)(C)C%11)CC%10)C=C9 Linker type: PEG Incubation time (hours): 72 Cells: MyLa1929 EC50 (cells): = 157 nM Off-targets reported?: No Contributed by: Yangwode Jing
Calculated Values
MW: 1,688.53 Hbond donors: 4 Hbond acceptors: 22 cLogP: 11.81 TPSA: 276.99 SMILES: show O=C(C1=CC=C(C=C1)N2CCN(CC2)CC3=C(CCC(C)(C3)C)C4=CC=C(C=C4)Cl)NS(=O)(C5=CC=C(C(S(=O)(C(F)(F)F)=O)=C5)N[C@@H](CSC6=CC=CC=C6)CCN7CCN(CC7)C(COCCOCCOCCOCCOC8=CC=CC(C(C9=CSC([C@H]%10N(CCC%10)C([C@H](NC([C@H](C)NC)=O)C%11CCCCC%11)=O)=N9)=O)=C8)=O)=O Linker type: PEG Incubation time (hours): 72 Cells: MyLa1929 EC50 (cells): = 75 nM Contributed by: Ronen Gabizon
Calculated Values
MW: 1,753.61 Hbond donors: 4 Hbond acceptors: 24 cLogP: 12.37 TPSA: 298.47 SMILES: show O=C(NS(=O)(C1=CC=C(N[C@H](CCN2CCN(C(CCCN3N=NC(COCCOCCOCCOC4=CC=CC(C(C5=CSC([C@H]6N(C([C@@H](C7CCCCC7)NC([C@@H](NC)C)=O)=O)CCC6)=N5)=O)=C4)=C3)=O)CC2)CSC8=CC=CC=C8)C(S(=O)(C(F)(F)F)=O)=C1)=O)C9=CC=C(N%10CCN(CC%11=C(C%12=CC=C(Cl)C=C%12)CCC(C)(C)C%11)CC%10)C=C9 Linker type: PEG Incubation time (hours): 72 Cells: MyLa1929 EC50 (cells): = 147 nM Off-targets reported?: No Contributed by: Yangwode Jing
Calculated Values
MW: 1,554.40 Hbond donors: 4 Hbond acceptors: 18 cLogP: 12.92 TPSA: 240.07 SMILES: show O=C(C1=CC=C(C=C1)N2CCN(CC2)CC3=C(CCC(C)(C3)C)C4=CC=C(C=C4)Cl)NS(=O)(C5=CC=C(C(S(=O)(C(F)(F)F)=O)=C5)N[C@@H](CSC6=CC=CC=C6)CCN7CCN(CC7)C(CCCCOC8=CC=CC(C(C9=CSC([C@H]%10N(CCC%10)C([C@H](NC([C@H](C)NC)=O)C%11CCCCC%11)=O)=N9)=O)=C8)=O)=O Linker type: Alkane Incubation time (hours): 72 Cells: MyLa1929 EC50 (cells): = 1959 nM Contributed by: Ronen Gabizon
Calculated Values
MW: 1,600.43 Hbond donors: 4 Hbond acceptors: 20 cLogP: 11.78 TPSA: 258.53 SMILES: show O=C(C1=CC=C(C=C1)N2CCN(CC2)CC3=C(CCC(C)(C3)C)C4=CC=C(C=C4)Cl)NS(=O)(C5=CC=C(C(S(=O)(C(F)(F)F)=O)=C5)N[C@@H](CSC6=CC=CC=C6)CCN7CCN(CC7)C(COCCOCCOC8=CC=CC(C(C9=CSC([C@H]%10N(CCC%10)C([C@H](NC([C@H](C)NC)=O)C%11CCCCC%11)=O)=N9)=O)=C8)=O)=O Linker type: PEG Incubation time (hours): 72 Cells: MyLa1929 EC50 (cells): = 143 nM Contributed by: Ronen Gabizon
Calculated Values
MW: 1,568.43 Hbond donors: 4 Hbond acceptors: 18 cLogP: 13.31 TPSA: 240.07 SMILES: show O=C(C1=CC=C(C=C1)N2CCN(CC2)CC3=C(CCC(C)(C3)C)C4=CC=C(C=C4)Cl)NS(=O)(C5=CC=C(C(S(=O)(C(F)(F)F)=O)=C5)N[C@@H](CSC6=CC=CC=C6)CCN7CCN(CC7)C(CCCCCOC8=CC=CC(C(C9=CSC([C@H]%10N(CCC%10)C([C@H](NC([C@H](C)NC)=O)C%11CCCCC%11)=O)=N9)=O)=C8)=O)=O Linker type: Alkane Incubation time (hours): 72 Cells: MyLa1929 Contributed by: Ronen Gabizon
Calculated Values
MW: 1,582.46 Hbond donors: 4 Hbond acceptors: 18 cLogP: 13.70 TPSA: 240.07 SMILES: show O=C(C1=CC=C(C=C1)N2CCN(CC2)CC3=C(CCC(C)(C3)C)C4=CC=C(C=C4)Cl)NS(=O)(C5=CC=C(C(S(=O)(C(F)(F)F)=O)=C5)N[C@@H](CSC6=CC=CC=C6)CCN7CCN(CC7)C(CCCCCCOC8=CC=CC(C(C9=CSC([C@H]%10N(CCC%10)C([C@H](NC([C@H](C)NC)=O)C%11CCCCC%11)=O)=N9)=O)=C8)=O)=O Linker type: Alkane Incubation time (hours): 72 Cells: MyLa1929 Contributed by: Ronen Gabizon |
Calculated Values
MW: 1,683.50 Hbond donors: 5 Hbond acceptors: 22 cLogP: 10.29 TPSA: 297.61 SMILES: show O=C(C1=CC=C(C=C1)N2CCN(CC2)CC3=C(CCC(C)(C3)C)C4=CC=C(C=C4)Cl)NS(=O)(C5=CC=C(C(S(=O)(C(F)(F)F)=O)=C5)N[C@@H](CSC6=CC=CC=C6)CCN7CCN(CC7)C(CCCN8N=NC(COCCOCCOC9=CC=C%10C(CCC[C@H]%10NC([C@H]%11C(C)(C)C[C@@]([H])(OCC[C@H]%12NC([C@@H](C)NC)=O)N%11C%12=O)=O)=C9)=C8)=O)=O Linker type: non-PEG polyether Incubation time (hours): 72 Cells: MyLa1929 EC50 (cells): = 153 nM Contributed by: Ronen Gabizon
Calculated Values
MW: 1,556.39 Hbond donors: 5 Hbond acceptors: 17 cLogP: 11.63 TPSA: 248.44 SMILES: show O=C(C1=CC=C(C=C1)N2CCN(CC2)CC3=C(CCC(C)(C3)C)C4=CC=C(C=C4)Cl)NS(=O)(C5=CC=C(C(S(=O)(C(F)(F)F)=O)=C5)N[C@@H](CSC6=CC=CC=C6)CCN7CCN(CC7)C(CCCCCCOC8=CC=C9C(CCC[C@H]9NC([C@H]%10C(C)(C)C[C@@]([H])(OCC[C@H]%11NC([C@@H](C)NC)=O)N%10C%11=O)=O)=C8)=O)=O Linker type: Alkane Incubation time (hours): 72 Cells: MyLa1929 EC50 (cells): = 274 nM Contributed by: Ronen Gabizon
Calculated Values
MW: 1,574.36 Hbond donors: 5 Hbond acceptors: 19 cLogP: 9.72 TPSA: 266.90 SMILES: show O=C(C1=CC=C(C=C1)N2CCN(CC2)CC3=C(CCC(C)(C3)C)C4=CC=C(C=C4)Cl)NS(=O)(C5=CC=C(C(S(=O)(C(F)(F)F)=O)=C5)N[C@@H](CSC6=CC=CC=C6)CCN7CCN(CC7)C(COCCOCCOC8=CC=C9C(CCC[C@H]9NC([C@H]%10C(C)(C)C[C@@]([H])(OCC[C@H]%11NC([C@@H](C)NC)=O)N%10C%11=O)=O)=C8)=O)=O Linker type: PEG Incubation time (hours): 72 Cells: MyLa1929 EC50 (cells): = 100 nM Contributed by: Ronen Gabizon
Calculated Values
MW: 1,514.31 Hbond donors: 5 Hbond acceptors: 17 cLogP: 10.46 TPSA: 248.44 SMILES: show O=C(C1=CC=C(C=C1)N2CCN(CC2)CC3=C(CCC(C)(C3)C)C4=CC=C(C=C4)Cl)NS(=O)(C5=CC=C(C(S(=O)(C(F)(F)F)=O)=C5)N[C@@H](CSC6=CC=CC=C6)CCN7CCN(CC7)C(CCCOC8=CC=C9C(CCC[C@H]9NC([C@H]%10C(C)(C)C[C@@]([H])(OCC[C@H]%11NC([C@@H](C)NC)=O)N%10C%11=O)=O)=C8)=O)=O Linker type: Alkane Incubation time (hours): 72 Cells: MyLa1929 EC50 (cells): = 62 nM Contributed by: Ronen Gabizon
Calculated Values
MW: 1,528.34 Hbond donors: 5 Hbond acceptors: 17 cLogP: 10.85 TPSA: 248.44 SMILES: show O=C(C1=CC=C(C=C1)N2CCN(CC2)CC3=C(CCC(C)(C3)C)C4=CC=C(C=C4)Cl)NS(=O)(C5=CC=C(C(S(=O)(C(F)(F)F)=O)=C5)N[C@@H](CSC6=CC=CC=C6)CCN7CCN(CC7)C(CCCCOC8=CC=C9C(CCC[C@H]9NC([C@H]%10C(C)(C)C[C@@]([H])(OCC[C@H]%11NC([C@@H](C)NC)=O)N%10C%11=O)=O)=C8)=O)=O Linker type: Alkane Incubation time (hours): 72 Cells: MyLa1929 EC50 (cells): = 76 nM Contributed by: Ronen Gabizon
Calculated Values
MW: 1,676.50 Hbond donors: 5 Hbond acceptors: 21 cLogP: 10.14 TPSA: 285.36 SMILES: show O=C(C1=CC=C(C=C1)N2CCN(CC2)CC3=C(CCC(C)(C3)C)C4=CC=C(C=C4)Cl)NS(=O)(C5=CC=C(C(S(=O)(C(F)(F)F)=O)=C5)N[C@@H](CSC6=CC=CC=C6)CCN7CCN(CC7)C(COCCOCCOCCOCCCOC8=CC=C9C(CCC[C@H]9NC([C@H]%10C(C)(C)C[C@@]([H])(OCC[C@H]%11NC([C@@H](C)NC)=O)N%10C%11=O)=O)=C8)=O)=O Linker type: PEG Incubation time (hours): 72 Cells: MyLa1929 EC50 (cells): = 70 nM Contributed by: Ronen Gabizon
Calculated Values
MW: 1,542.36 Hbond donors: 5 Hbond acceptors: 17 cLogP: 11.24 TPSA: 248.44 SMILES: show O=C(C1=CC=C(C=C1)N2CCN(CC2)CC3=C(CCC(C)(C3)C)C4=CC=C(C=C4)Cl)NS(=O)(C5=CC=C(C(S(=O)(C(F)(F)F)=O)=C5)N[C@@H](CSC6=CC=CC=C6)CCN7CCN(CC7)C(CCCCCOC8=CC=C9C(CCC[C@H]9NC([C@H]%10C(C)(C)C[C@@]([H])(OCC[C@H]%11NC([C@@H](C)NC)=O)N%10C%11=O)=O)=C8)=O)=O Linker type: Alkane Incubation time (hours): 72 Cells: MyLa1929 EC50 (cells): = 127 nM Contributed by: Ronen Gabizon
Calculated Values
MW: 1,727.55 Hbond donors: 5 Hbond acceptors: 23 cLogP: 10.31 TPSA: 306.84 SMILES: show O=C(C1=CC=C(C=C1)N2CCN(CC2)CC3=C(CCC(C)(C3)C)C4=CC=C(C=C4)Cl)NS(=O)(C5=CC=C(C(S(=O)(C(F)(F)F)=O)=C5)N[C@@H](CSC6=CC=CC=C6)CCN7CCN(CC7)C(CCCN8N=NC(COCCOCCOCCOC9=CC=C%10C(CCC[C@H]%10NC([C@H]%11C(C)(C)C[C@@]([H])(OCC[C@H]%12NC([C@@H](C)NC)=O)N%11C%12=O)=O)=C9)=C8)=O)=O Linker type: non-PEG polyether Incubation time (hours): 72 Cells: MyLa1929 EC50 (cells): = 119 nM Contributed by: Ronen Gabizon |