General Information of the Compound
| Compound ID |
CP0168732
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| Compound Name |
4-(4-Chloro-3-trifluoromethyl-phenyl)-1-(3,3-diphenyl-propyl)-1-oxy-piperidin-4-ol
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| Structure |
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| Formula |
C27H27ClF3NO2
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| Molecular Weight |
489.965
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| Canonical SMILES |
OC1(CC[N+]([O-])(CCC(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C27H27ClF3NO2/c28-25-12-11-22(19-24(25)27(29,30)31)26(33)14-17-32(34,18-15-26)16-13-23(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-12,19,23,33H,13-18H2
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| InChIKey |
MDSVMKMYXTVWGS-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