General Information of the Compound
| Compound ID |
CP0427140
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| Compound Name |
[2-(4-phenylmethoxyphenyl)-3H-benzimidazol-5-yl]-[2-(trifluoromethyl)phenyl]methanol
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| Structure |
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| Formula |
C28H21F3N2O2
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| Molecular Weight |
474.482
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| Canonical SMILES |
OC(c1ccc2nc([nH]c2c1)-c1ccc(OCc2ccccc2)cc1)c1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C28H21F3N2O2/c29-28(30,31)23-9-5-4-8-22(23)26(34)20-12-15-24-25(16-20)33-27(32-24)19-10-13-21(14-11-19)35-17-18-6-2-1-3-7-18/h1-16,26,34H,17H2,(H,32,33)
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| InChIKey |
ZBFFRSOBUFXEKD-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
Protein ID: PT01589, Acyl-CoA desaturase 1
Protein ID: PT01587, Stearoyl-CoA desaturase