General Information of the Compound
| Compound ID |
CP0396999
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| Compound Name |
CHEMBL3361206
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| Formula |
C25H28ClN5O
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| Molecular Weight |
449.986
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| Canonical SMILES |
NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccc(Cl)cc3)cc(n2)-c2ccccc2)CC1
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| InChI |
InChI=1S/C25H28ClN5O/c26-21-12-8-18(9-13-21)15-28-23-14-22(19-4-2-1-3-5-19)30-25(31-23)29-16-17-6-10-20(11-7-17)24(27)32/h1-5,8-9,12-14,17,20H,6-7,10-11,15-16H2,(H2,27,32)(H2,28,29,30,31)/t17-,20-
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| InChIKey |
WUDRTKZOZFBFDG-IRJFHVNHSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound