General Information of the Compound
| Compound ID |
CP0953595
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| Compound Name |
2-[6-(8-fluoro-2-naphthyl)-2-oxo-1H-pyridin-3-yl]-3-methyl-N-(1-methylbenzimidazol-5-yl)butanamide
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| Structure |
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| Formula |
C28H25FN4O2
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| Molecular Weight |
468.532
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| Canonical SMILES |
CC(C)C(C(=O)Nc1ccc2c(c1)ncn2C)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O
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| InChI |
InChI=1S/C28H25FN4O2/c1-16(2)26(28(35)31-19-9-12-25-24(14-19)30-15-33(25)3)20-10-11-23(32-27(20)34)18-8-7-17-5-4-6-22(29)21(17)13-18/h4-16,26H,1-3H3,(H,31,35)(H,32,34)
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| InChIKey |
VFQCDAIXGKKBRB-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