General Information of the Compound
| Compound ID |
CP0463940
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| Compound Name |
CHEMBL17395
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| Formula |
C24H28ClN5O
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| Molecular Weight |
437.975
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| Canonical SMILES |
CN(C[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(Cl)cc2)c2ccccc2n1)C(C)=O
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| InChI |
InChI=1S/C24H28ClN5O/c1-16(31)30(2)15-17-7-11-20(12-8-17)27-24-28-22-6-4-3-5-21(22)23(29-24)26-19-13-9-18(25)10-14-19/h3-6,9-10,13-14,17,20H,7-8,11-12,15H2,1-2H3,(H2,26,27,28,29)/t17-,20-
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| InChIKey |
HRZKIUFUBIPCLU-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