General Information of the Compound
| Compound ID |
CP0456157
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| Compound Name |
(1R,2R,4R)-2-(4-benzylpiperidin-1-yl)-4-[(4-fluorophenyl)methoxy]cyclohexan-1-ol
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| Structure |
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| Formula |
C25H32FNO2
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| Molecular Weight |
397.534
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| Canonical SMILES |
O[C@@H]1CC[C@H](C[C@H]1N1CCC(Cc2ccccc2)CC1)OCc1ccc(F)cc1
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| InChI |
InChI=1S/C25H32FNO2/c26-22-8-6-21(7-9-22)18-29-23-10-11-25(28)24(17-23)27-14-12-20(13-15-27)16-19-4-2-1-3-5-19/h1-9,20,23-25,28H,10-18H2/t23-,24-,25-/m1/s1
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| InChIKey |
CWKQEYPZYVPIQT-UBFVSLLYSA-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