General Information of the Compound
| Compound ID |
CP0531178
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| Compound Name |
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(chloromethyl)-4-phenylpyridine-3-carboxamide
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| Structure |
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| Formula |
C22H15ClF6N2O
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| Molecular Weight |
472.816
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| Canonical SMILES |
FC(F)(F)c1cc(CNC(=O)c2c(CCl)nccc2-c2ccccc2)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C22H15ClF6N2O/c23-11-18-19(17(6-7-30-18)14-4-2-1-3-5-14)20(32)31-12-13-8-15(21(24,25)26)10-16(9-13)22(27,28)29/h1-10H,11-12H2,(H,31,32)
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| InChIKey |
RRGKJCLXDVRZFZ-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