General Information of the Compound
| Compound ID |
CP0442764
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| Compound Name |
4-(4-Chloro-3-trifluoromethyl-phenyl)-1-(4-fluoro-benzyl)-piperidin-4-ol
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| Structure |
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| Formula |
C19H18ClF4NO
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| Molecular Weight |
387.804
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| Canonical SMILES |
OC1(CCN(Cc2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C19H18ClF4NO/c20-17-6-3-14(11-16(17)19(22,23)24)18(26)7-9-25(10-8-18)12-13-1-4-15(21)5-2-13/h1-6,11,26H,7-10,12H2
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| InChIKey |
XBKCYKJENSQQQL-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