General Information of the Compound
| Compound ID |
CP0532339
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| Compound Name |
2-chloro-4-fluoro-N-(1H-imidazol-2-yl)-5-[(2-methylpropanoylamino)methyl]benzamide
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| Structure |
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| Formula |
C15H16ClFN4O2
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| Molecular Weight |
338.77
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| Canonical SMILES |
CC(C)C(=O)NCc1cc(C(=O)Nc2ncc[nH]2)c(Cl)cc1F
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| InChI |
InChI=1S/C15H16ClFN4O2/c1-8(2)13(22)20-7-9-5-10(11(16)6-12(9)17)14(23)21-15-18-3-4-19-15/h3-6,8H,7H2,1-2H3,(H,20,22)(H2,18,19,21,23)
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| InChIKey |
BRDXAWQPAQGSDE-UHFFFAOYSA-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