General Information of the Compound
| Compound ID |
CP0566584
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| Compound Name |
(1R,2R,4R)-4-(3-fluoropropoxy)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol
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| Structure |
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| Formula |
C20H30FNO2
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| Molecular Weight |
335.463
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| Canonical SMILES |
O[C@@H]1CC[C@H](C[C@H]1N1CCC(CC1)c1ccccc1)OCCCF
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| InChI |
InChI=1S/C20H30FNO2/c21-11-4-14-24-18-7-8-20(23)19(15-18)22-12-9-17(10-13-22)16-5-2-1-3-6-16/h1-3,5-6,17-20,23H,4,7-15H2/t18-,19-,20-/m1/s1
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| InChIKey |
BCZUKXFKEOFPHY-VAMGGRTRSA-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