General Information of the Compound
| Compound ID |
CP0534065
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| Compound Name |
1-[(3-fluorophenyl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide
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| Structure |
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| Formula |
C23H17F4N3O
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| Molecular Weight |
427.401
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| Canonical SMILES |
Fc1cccc(Cn2cnc3cc(ccc23)C(=O)NCc2ccccc2C(F)(F)F)c1
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| InChI |
InChI=1S/C23H17F4N3O/c24-18-6-3-4-15(10-18)13-30-14-29-20-11-16(8-9-21(20)30)22(31)28-12-17-5-1-2-7-19(17)23(25,26)27/h1-11,14H,12-13H2,(H,28,31)
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| InChIKey |
ATGFXPFKYIUQPP-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