Calculated Values
MW: 1,005.17 Hbond donors: 3 Hbond acceptors: 19 cLogP: 4.31 TPSA: 237.46 SMILES: show O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC=C3NCCOCCOCCOCCOCCN4N=NC(CCCC(N5CCN(C6=NC(C)=NC(NC7=NC=C(/C=C/C8=CC=CC(C)=C8)S7)=C6)CC5)=O)=C4)=O Linker type: PEG Incubation time (hours): 48 Cells: K562, BaF3 EC50 (cells): = 6.1 μM Off-targets reported?: No Contributed by: Yangwode Jing |
Calculated Values
MW: 929.34 Hbond donors: 5 Hbond acceptors: 15 cLogP: 3.73 TPSA: 247.76 SMILES: show O=C(NC1=CC=C(OC(F)(Cl)F)C=C1)C2=CN=C(N3C[C@H](NC(CCCC4=CN(CCOCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)N=N4)=O)CC3)C(C8=NNC=C8)=C2 Linker type: Other Incubation time (hours): 32 Cells: K562 DC50: ~ 400 nM Off-targets reported?: No Contributed by: Yangwode Jing
Calculated Values
MW: 1,017.45 Hbond donors: 5 Hbond acceptors: 17 cLogP: 3.76 TPSA: 266.22 SMILES: show O=C(NC1=CC=C(OC(F)(Cl)F)C=C1)C2=CN=C(N3C[C@H](NC(CCCC4=CN(CCOCCOCCOCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)N=N4)=O)CC3)C(C8=NNC=C8)=C2 Linker type: PEG Incubation time (hours): 32 Cells: K562 EC50 (cells): = 121 nM DC50: ~ 200 nM Off-targets reported?: No Contributed by: Yangwode Jing
Calculated Values
MW: 885.29 Hbond donors: 5 Hbond acceptors: 14 cLogP: 3.71 TPSA: 238.53 SMILES: show O=C(NC1=CC=C(OC(F)(Cl)F)C=C1)C2=CN=C(N3C[C@H](NC(CCCC4=CN(CCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)N=N4)=O)CC3)C(C8=NNC=C8)=C2 Linker type: Other Incubation time (hours): 32 Cells: K562 DC50: > 625 nM Off-targets reported?: No Contributed by: Yangwode Jing
Calculated Values
MW: 1,061.50 Hbond donors: 5 Hbond acceptors: 18 cLogP: 3.78 TPSA: 275.45 SMILES: show O=C(NC1=CC=C(OC(F)(Cl)F)C=C1)C2=CN=C(N3C[C@H](NC(CCCC4=CN(CCOCCOCCOCCOCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)N=N4)=O)CC3)C(C8=NNC=C8)=C2 Linker type: PEG Incubation time (hours): 32 Cells: K562 DC50: ~ 500 nM Off-targets reported?: No Contributed by: Yangwode Jing
Calculated Values
MW: 973.39 Hbond donors: 5 Hbond acceptors: 16 cLogP: 3.75 TPSA: 256.99 SMILES: show O=C(NC1=CC=C(OC(F)(Cl)F)C=C1)C2=CN=C(N3C[C@H](NC(CCCC4=CN(CCOCCOCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)N=N4)=O)CC3)C(C8=NNC=C8)=C2 Linker type: PEG Incubation time (hours): 32 Cells: K562 DC50: ~ 300 nM Off-targets reported?: No Contributed by: Yangwode Jing |
Calculated Values
MW: 954.97 Hbond donors: 3 Hbond acceptors: 14 cLogP: 4.48 TPSA: 209.13 SMILES: show O=C(NC1=CC=C(CN2CCN(C(CCCC3=CN(CCNC4=CC=CC(C(N5C(CC6)C(NC6=O)=O)=O)=C4C5=O)N=N3)=O)CC2)C(C(F)(F)F)=C1)C7=CC=C(C)C(C#CC8=CN=C9C=CC=NN98)=C7 Linker type: Other Incubation time (hours): 32 Cells: K562 DC50: ~ 625 nM Off-targets reported?: No Contributed by: Yangwode Jing
Calculated Values
MW: 999.02 Hbond donors: 3 Hbond acceptors: 15 cLogP: 4.50 TPSA: 218.36 SMILES: show O=C(NC1=CC=C(CN2CCN(C(CCCC3=CN(CCOCCNC4=CC=CC(C(N5C(CC6)C(NC6=O)=O)=O)=C4C5=O)N=N3)=O)CC2)C(C(F)(F)F)=C1)C7=CC=C(C)C(C#CC8=CN=C9C=CC=NN98)=C7 Linker type: Other Incubation time (hours): 32 Cells: K562 DC50: ~ 70 nM Off-targets reported?: No Contributed by: Yangwode Jing
Calculated Values
MW: 1,131.18 Hbond donors: 3 Hbond acceptors: 18 cLogP: 4.55 TPSA: 246.05 SMILES: show O=C(NC1=CC=C(CN2CCN(C(CCCC3=CN(CCOCCOCCOCCOCCNC4=CC=CC(C(N5C(CC6)C(NC6=O)=O)=O)=C4C5=O)N=N3)=O)CC2)C(C(F)(F)F)=C1)C7=CC=C(C)C(C#CC8=CN=C9C=CC=NN98)=C7 Linker type: PEG Incubation time (hours): 32 Cells: K562 DC50: ~ 70 nM Off-targets reported?: No Contributed by: Yangwode Jing
Calculated Values
MW: 1,043.08 Hbond donors: 3 Hbond acceptors: 16 cLogP: 4.51 TPSA: 227.59 SMILES: show O=C(NC1=CC=C(CN2CCN(C(CCCC3=CN(CCOCCOCCNC4=CC=CC(C(N5C(CC6)C(NC6=O)=O)=O)=C4C5=O)N=N3)=O)CC2)C(C(F)(F)F)=C1)C7=CC=C(C)C(C#CC8=CN=C9C=CC=NN98)=C7 Linker type: PEG Incubation time (hours): 32 Cells: K562 DC50: ~ 70 nM Off-targets reported?: No Contributed by: Yangwode Jing
Calculated Values
MW: 1,087.13 Hbond donors: 3 Hbond acceptors: 17 cLogP: 4.53 TPSA: 236.82 SMILES: show O=C(NC1=CC=C(CN2CCN(C(CCCC3=CN(CCOCCOCCOCCNC4=CC=CC(C(N5C(CC6)C(NC6=O)=O)=O)=C4C5=O)N=N3)=O)CC2)C(C(F)(F)F)=C1)C7=CC=C(C)C(C#CC8=CN=C9C=CC=NN98)=C7 Linker type: PEG Incubation time (hours): 32 Cells: K562 EC50 (cells): = 7.5 nM DC50: ~ 20 nM Dmax: = 50 % Off-targets reported?: No Contributed by: Yangwode Jing |
Calculated Values
MW: 1,056.60 Hbond donors: 4 Hbond acceptors: 20 cLogP: 4.04 TPSA: 266.56 SMILES: show O=C(C1=CN=C(NC2=NC(C)=NC(N3CCN(C(CCCC4=CN(CCOCCOCCOCCOCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)N=N4)=O)CC3)=C2)S1)NC8=C(C)C=CC=C8Cl Linker type: PEG Incubation time (hours): 32 Cells: K562 EC50 (cells): = 9.2 nM DC50: ~ 10 nM Off-targets reported?: No Contributed by: Yangwode Jing
Calculated Values
MW: 924.44 Hbond donors: 4 Hbond acceptors: 17 cLogP: 3.99 TPSA: 238.87 SMILES: show O=C(C1=CN=C(NC2=NC(C)=NC(N3CCN(C(CCCC4=CN(CCOCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)N=N4)=O)CC3)=C2)S1)NC8=C(C)C=CC=C8Cl Linker type: Other Incubation time (hours): 32 Cells: K562 DC50: ~ 56 nM Off-targets reported?: No Contributed by: Yangwode Jing
Calculated Values
MW: 1,012.55 Hbond donors: 4 Hbond acceptors: 19 cLogP: 4.03 TPSA: 257.33 SMILES: show O=C(C1=CN=C(NC2=NC(C)=NC(N3CCN(C(CCCC4=CN(CCOCCOCCOCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)N=N4)=O)CC3)=C2)S1)NC8=C(C)C=CC=C8Cl Linker type: PEG Incubation time (hours): 32 Cells: K562 DC50: ~ 56 nM Off-targets reported?: No Contributed by: Yangwode Jing
Calculated Values
MW: 968.50 Hbond donors: 4 Hbond acceptors: 18 cLogP: 4.01 TPSA: 248.10 SMILES: show O=C(C1=CN=C(NC2=NC(C)=NC(N3CCN(C(CCCC4=CN(CCOCCOCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)N=N4)=O)CC3)=C2)S1)NC8=C(C)C=CC=C8Cl Linker type: PEG Incubation time (hours): 32 Cells: K562 DC50: ~ 20 nM Off-targets reported?: No Contributed by: Yangwode Jing
Calculated Values
MW: 880.39 Hbond donors: 4 Hbond acceptors: 16 cLogP: 3.98 TPSA: 229.64 SMILES: show O=C(C1=CN=C(NC2=NC(C)=NC(N3CCN(C(CCCC4=CN(CCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)N=N4)=O)CC3)=C2)S1)NC8=C(C)C=CC=C8Cl Linker type: Other Incubation time (hours): 32 Cells: K562 DC50: ~ 56 nM Off-targets reported?: No Contributed by: Yangwode Jing |
Calculated Values
MW: 960.07 Hbond donors: 4 Hbond acceptors: 16 cLogP: 4.63 TPSA: 238.87 SMILES: show O=C(NC1=CC=C(C)C(NC2=NC=CC(C3=CC=CN=C3)=N2)=C1)C4=CC=C(CN5CCN(C(CCCC6=CN(CCOCCNC7=CC=CC(C(N8C(CC9)C(NC9=O)=O)=O)=C7C8=O)N=N6)=O)CC5)C=C4 Linker type: Other Incubation time (hours): 32 Cells: K562 Off-targets reported?: No Contributed by: Yangwode Jing
Calculated Values
MW: 916.02 Hbond donors: 4 Hbond acceptors: 15 cLogP: 4.61 TPSA: 229.64 SMILES: show O=C(NC1=CC=C(C)C(NC2=NC=CC(C3=CC=CN=C3)=N2)=C1)C4=CC=C(CN5CCN(C(CCCC6=CN(CCNC7=CC=CC(C(N8C(CC9)C(NC9=O)=O)=O)=C7C8=O)N=N6)=O)CC5)C=C4 Linker type: Other Incubation time (hours): 32 Cells: K562 Off-targets reported?: No Contributed by: Yangwode Jing
Calculated Values
MW: 1,048.17 Hbond donors: 4 Hbond acceptors: 18 cLogP: 4.66 TPSA: 257.33 SMILES: show O=C(NC1=CC=C(C)C(NC2=NC=CC(C3=CC=CN=C3)=N2)=C1)C4=CC=C(CN5CCN(C(CCCC6=CN(CCOCCOCCOCCNC7=CC=CC(C(N8C(CC9)C(NC9=O)=O)=O)=C7C8=O)N=N6)=O)CC5)C=C4 Linker type: PEG Incubation time (hours): 32 Cells: K562 Off-targets reported?: No Contributed by: Yangwode Jing
Calculated Values
MW: 1,092.23 Hbond donors: 4 Hbond acceptors: 19 cLogP: 4.68 TPSA: 266.56 SMILES: show O=C(NC1=CC=C(C)C(NC2=NC=CC(C3=CC=CN=C3)=N2)=C1)C4=CC=C(CN5CCN(C(CCCC6=CN(CCOCCOCCOCCOCCNC7=CC=CC(C(N8C(CC9)C(NC9=O)=O)=O)=C7C8=O)N=N6)=O)CC5)C=C4 Linker type: PEG Incubation time (hours): 32 Cells: K562 Off-targets reported?: No Contributed by: Yangwode Jing
Calculated Values
MW: 1,004.12 Hbond donors: 4 Hbond acceptors: 17 cLogP: 4.65 TPSA: 248.10 SMILES: show O=C(NC1=CC=C(C)C(NC2=NC=CC(C3=CC=CN=C3)=N2)=C1)C4=CC=C(CN5CCN(C(CCCC6=CN(CCOCCOCCNC7=CC=CC(C(N8C(CC9)C(NC9=O)=O)=O)=C7C8=O)N=N6)=O)CC5)C=C4 Linker type: PEG Incubation time (hours): 32 Cells: K562 Off-targets reported?: No Contributed by: Yangwode Jing |