General Information of the Compound
| Compound ID |
CP0078630
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| Compound Name |
4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2,2-diphenyl-butyric acid methyl ester
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| Structure |
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| Formula |
C28H30ClNO3
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| Molecular Weight |
464.005
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| Canonical SMILES |
COC(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C28H30ClNO3/c1-33-26(31)28(23-8-4-2-5-9-23,24-10-6-3-7-11-24)18-21-30-19-16-27(32,17-20-30)22-12-14-25(29)15-13-22/h2-15,32H,16-21H2,1H3
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| InChIKey |
NVAROXIKIBRSFM-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