General Information of the Compound
| Compound ID |
CP0176748
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| Compound Name |
4-[4-(4-Chloro-3-trifluoromethyl-phenyl)-4-hydroxy-piperidin-1-yl]-2,2-diphenyl-butyric acid
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| Structure |
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| Formula |
C28H27ClF3NO3
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| Molecular Weight |
517.975
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| Canonical SMILES |
OC(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)c(c1)C(F)(F)F)(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C28H27ClF3NO3/c29-24-12-11-22(19-23(24)28(30,31)32)26(36)13-16-33(17-14-26)18-15-27(25(34)35,20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-12,19,36H,13-18H2,(H,34,35)
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| InChIKey |
HADBIOYOPIXEAZ-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