General Information of the Compound
| Compound ID |
CP0423095
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| Compound Name |
(1R,2R,5S)-2-(4,4-diphenylpiperidin-1-yl)-5-[(4-fluorophenyl)methoxy]cyclohexan-1-ol
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| Structure |
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| Formula |
C30H34FNO2
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| Molecular Weight |
459.605
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| Canonical SMILES |
O[C@@H]1C[C@H](CC[C@H]1N1CCC(CC1)(c1ccccc1)c1ccccc1)OCc1ccc(F)cc1
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| InChI |
InChI=1S/C30H34FNO2/c31-26-13-11-23(12-14-26)22-34-27-15-16-28(29(33)21-27)32-19-17-30(18-20-32,24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-14,27-29,33H,15-22H2/t27-,28+,29+/m0/s1
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| InChIKey |
ZMGHJXZJLMYMGT-ZGIBFIJWSA-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