General Information of the Compound
| Compound ID |
CP0357719
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| Compound Name |
1-(cyclohexylmethyl)-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide
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| Structure |
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| Formula |
C23H24F3N3O2
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| Molecular Weight |
431.458
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| Canonical SMILES |
FC(F)(F)c1ccccc1CNC(=O)c1ccc2n(CC3CCCCC3)c(=O)[nH]c2c1
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| InChI |
InChI=1S/C23H24F3N3O2/c24-23(25,26)18-9-5-4-8-17(18)13-27-21(30)16-10-11-20-19(12-16)28-22(31)29(20)14-15-6-2-1-3-7-15/h4-5,8-12,15H,1-3,6-7,13-14H2,(H,27,30)(H,28,31)
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| InChIKey |
PCANUEBDFNBUDW-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