General Information of the Compound
| Compound ID |
CP0578041
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| Compound Name |
1-[(3,4-dichlorophenyl)methyl]-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide
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| Structure |
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| Formula |
C23H16Cl2F3N3O2
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| Molecular Weight |
494.3
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| Canonical SMILES |
FC(F)(F)c1ccccc1CNC(=O)c1ccc2n(Cc3ccc(Cl)c(Cl)c3)c(=O)[nH]c2c1
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| InChI |
InChI=1S/C23H16Cl2F3N3O2/c24-17-7-5-13(9-18(17)25)12-31-20-8-6-14(10-19(20)30-22(31)33)21(32)29-11-15-3-1-2-4-16(15)23(26,27)28/h1-10H,11-12H2,(H,29,32)(H,30,33)
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| InChIKey |
JSNDJYDJTIEUPX-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