Calculated Values
MW: 1,059.23 Hbond donors: 5 Hbond acceptors: 17 cLogP: 3.87 TPSA: 243.58 SMILES: show CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)COCCOCCOCCN2CCN(c3ccc(Nc4ncc5c(C)c(C(C)=O)c(=O)n(C6CCCC6)c5n4)nc3)CC2)C[C@H]1C(=O)Nc1c(F)cccc1F)C(C)(C)C Linker type: Alkane Incubation time (hours): 24 Cells: Jurkat Off-targets reported?: No Contributed by: Daniel Zaidman
Calculated Values
MW: 1,129.32 Hbond donors: 6 Hbond acceptors: 17 cLogP: 3.98 TPSA: 259.79 SMILES: show CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)CCOCCOCCOCCNC(=O)CN2CCN(c3ccc(Nc4cc5c(cn4)c(C)c(C(C)=O)c(=O)n5C4CCCC4)nc3)CC2)C[C@H]1C(=O)Nc1c(F)cccc1F)C(C)(C)C Linker type: PEG Incubation time (hours): 24 Cells: Jurkat Off-targets reported?: No Contributed by: Daniel Zaidman |
Calculated Values
MW: 831.93 Hbond donors: 4 Hbond acceptors: 15 cLogP: 3.09 TPSA: 220.93 SMILES: show CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(CCCCNC(=O)CNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cn3)nc2n(C2CCCC2)c1=O Linker type: Alkane Incubation time (hours): 24 Cells: Jurkat Off-targets reported?: No Contributed by: Daniel Zaidman
Calculated Values
MW: 891.99 Hbond donors: 4 Hbond acceptors: 17 cLogP: 2.34 TPSA: 239.39 SMILES: show CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(CCOCCOCCNC(=O)CNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cn3)nc2n(C2CCCC2)c1=O Linker type: PEG Incubation time (hours): 24 Cells: Jurkat Off-targets reported?: No Contributed by: Daniel Zaidman |
Calculated Values
MW: 1,135.40 Hbond donors: 5 Hbond acceptors: 19 cLogP: 5.04 TPSA: 264.67 SMILES: show CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(CC(=O)NCCOCCOCCOCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)c5ccc(-c6scnc6C)cc5)C(C)(C)C)CC4)cn3)nc2n(C2CCCC2)c1=O Linker type: PEG Incubation time (hours): 24 Cells: Jurkat Off-targets reported?: No Comments: inactive for CDK4, active for CDK6 Contributed by: Daniel Zaidman
Calculated Values
MW: 1,016.33 Hbond donors: 4 Hbond acceptors: 15 cLogP: 7.82 TPSA: 207.88 SMILES: show CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(CCCCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)c5ccc(-c6scnc6C)cc5)C(C)(C)C)CC4)cn3)nc2n(C2CCCC2)c1=O Linker type: Alkane Incubation time (hours): 24 Cells: Jurkat Off-targets reported?: No Contributed by: Daniel Zaidman
Calculated Values
MW: 1,064.32 Hbond donors: 4 Hbond acceptors: 18 cLogP: 5.53 TPSA: 235.57 SMILES: show CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(CCOCCOCCOCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)c5ccc(-c6scnc6C)cc5)C(C)(C)C)CC4)cn3)nc2n(C2CCCC2)c1=O Linker type: PEG Incubation time (hours): 24 Cells: Jurkat Off-targets reported?: No Contributed by: Daniel Zaidman |
Calculated Values
MW: 831.93 Hbond donors: 4 Hbond acceptors: 15 cLogP: 3.09 TPSA: 220.93 SMILES: show CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(CCCCNC(=O)CNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cn3)nc2n(C2CCCC2)c1=O Linker type: Alkane Incubation time (hours): 24 Cells: Jurkat Off-targets reported?: No Contributed by: Daniel Zaidman
Calculated Values
MW: 891.99 Hbond donors: 4 Hbond acceptors: 17 cLogP: 2.34 TPSA: 239.39 SMILES: show CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(CCOCCOCCNC(=O)CNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cn3)nc2n(C2CCCC2)c1=O Linker type: PEG Incubation time (hours): 24 Cells: Jurkat Off-targets reported?: No Contributed by: Daniel Zaidman |
Calculated Values
MW: 1,064.32 Hbond donors: 4 Hbond acceptors: 18 cLogP: 5.53 TPSA: 235.57 SMILES: show CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(CCOCCOCCOCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)c5ccc(-c6scnc6C)cc5)C(C)(C)C)CC4)cn3)nc2n(C2CCCC2)c1=O Linker type: PEG Incubation time (hours): 24 Cells: Jurkat Off-targets reported?: No Contributed by: Daniel Zaidman
Calculated Values
MW: 1,016.33 Hbond donors: 4 Hbond acceptors: 15 cLogP: 7.82 TPSA: 207.88 SMILES: show CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(CCCCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)c5ccc(-c6scnc6C)cc5)C(C)(C)C)CC4)cn3)nc2n(C2CCCC2)c1=O Linker type: Alkane Incubation time (hours): 24 Cells: Jurkat Off-targets reported?: No Contributed by: Daniel Zaidman
Calculated Values
MW: 1,135.40 Hbond donors: 5 Hbond acceptors: 19 cLogP: 5.04 TPSA: 264.67 SMILES: show CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(CC(=O)NCCOCCOCCOCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)c5ccc(-c6scnc6C)cc5)C(C)(C)C)CC4)cn3)nc2n(C2CCCC2)c1=O Linker type: PEG Incubation time (hours): 24 Cells: Jurkat Off-targets reported?: No Comments: inactive for CDK4, active for CDK6 Contributed by: Daniel Zaidman |
Calculated Values
MW: 1,059.23 Hbond donors: 5 Hbond acceptors: 17 cLogP: 3.87 TPSA: 243.58 SMILES: show CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)COCCOCCOCCN2CCN(c3ccc(Nc4ncc5c(C)c(C(C)=O)c(=O)n(C6CCCC6)c5n4)nc3)CC2)C[C@H]1C(=O)Nc1c(F)cccc1F)C(C)(C)C Linker type: Alkane Incubation time (hours): 24 Cells: Jurkat Off-targets reported?: No Contributed by: Daniel Zaidman
Calculated Values
MW: 1,129.32 Hbond donors: 6 Hbond acceptors: 17 cLogP: 3.98 TPSA: 259.79 SMILES: show CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)CCOCCOCCOCCNC(=O)CN2CCN(c3ccc(Nc4cc5c(cn4)c(C)c(C(C)=O)c(=O)n5C4CCCC4)nc3)CC2)C[C@H]1C(=O)Nc1c(F)cccc1F)C(C)(C)C Linker type: PEG Incubation time (hours): 24 Cells: Jurkat Off-targets reported?: No Contributed by: Daniel Zaidman |