General Information of the Compound
| Compound ID |
CP0534960
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| Compound Name |
N-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazole-5-carboxamide
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| Structure |
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| Formula |
C22H13F6N3O2
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| Molecular Weight |
465.353
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| Canonical SMILES |
FC(F)(F)c1cc(Oc2ccc(NC(=O)c3ccc4nc[nH]c4c3)cc2)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C22H13F6N3O2/c23-21(24,25)13-8-14(22(26,27)28)10-17(9-13)33-16-4-2-15(3-5-16)31-20(32)12-1-6-18-19(7-12)30-11-29-18/h1-11H,(H,29,30)(H,31,32)
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| InChIKey |
CQFCVDUTLCPVNP-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