Calculated Values
MW: 981.54 Hbond donors: 4 Hbond acceptors: 15 cLogP: 8.61 TPSA: 215.81 SMILES: show O=C(C1=CN=C(NC2=NC(C)=NC(N3CCN(CCCCOC4=CC=C(/N=N/C5=CC=C(C(NC6=CC=CC7=C6CN(C(CC8)C(NC8=O)=O)C7=O)=O)C=C5)C=C4)CC3)=C2)S1)NC9=C(C)C=CC=C9Cl Linker type: Other Incubation time (hours): 24 Cells: K562, A549, HCT116, MCF-7, HEK293T IC50: = 68 nM EC50 (cells): = 28 nM Off-targets reported?: No Contributed by: Yangwode Jing
Calculated Values
MW: 967.51 Hbond donors: 4 Hbond acceptors: 15 cLogP: 8.22 TPSA: 215.81 SMILES: show O=C(C1=CN=C(NC2=NC(C)=NC(N3CCN(CCCOC4=CC=C(/N=N/C5=CC=C(C(NC6=CC=CC7=C6CN(C(CC8)C(NC8=O)=O)C7=O)=O)C=C5)C=C4)CC3)=C2)S1)NC9=C(C)C=CC=C9Cl Linker type: Other Incubation time (hours): 24 Cells: K562 Off-targets reported?: No Contributed by: Yangwode Jing
Calculated Values
MW: 953.49 Hbond donors: 4 Hbond acceptors: 15 cLogP: 7.83 TPSA: 215.81 SMILES: show O=C(C1=CN=C(NC2=NC(C)=NC(N3CCN(CCOC4=CC=C(/N=N/C5=CC=C(C(NC6=CC=CC7=C6CN(C(CC8)C(NC8=O)=O)C7=O)=O)C=C5)C=C4)CC3)=C2)S1)NC9=C(C)C=CC=C9Cl Linker type: Other Incubation time (hours): 24 Cells: K562 Off-targets reported?: No Contributed by: Yangwode Jing
Calculated Values
MW: 995.57 Hbond donors: 4 Hbond acceptors: 15 cLogP: 9.00 TPSA: 215.81 SMILES: show O=C(C1=CN=C(NC2=NC(C)=NC(N3CCN(CCCCCOC4=CC=C(/N=N/C5=CC=C(C(NC6=CC=CC7=C6CN(C(CC8)C(NC8=O)=O)C7=O)=O)C=C5)C=C4)CC3)=C2)S1)NC9=C(C)C=CC=C9Cl Linker type: Other Incubation time (hours): 24 Cells: K562 Off-targets reported?: No Contributed by: Yangwode Jing
Calculated Values
MW: 1,009.59 Hbond donors: 4 Hbond acceptors: 15 cLogP: 9.39 TPSA: 215.81 SMILES: show O=C(C1=CN=C(NC2=NC(C)=NC(N3CCN(CCCCCCOC4=CC=C(/N=N/C5=CC=C(C(NC6=CC=CC7=C6CN(C(CC8)C(NC8=O)=O)C7=O)=O)C=C5)C=C4)CC3)=C2)S1)NC9=C(C)C=CC=C9Cl Linker type: Other Incubation time (hours): 24 Cells: K562 Off-targets reported?: No Contributed by: Yangwode Jing |