General Information of the Compound
| Compound ID |
CP0964696
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| Compound Name |
(+/-)-1-(1-(5-(4-fluorobenzyloxy)-2-hydroxycyclohexyl)-4-phenylpiperidin-4-yl)ethanone
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| Structure |
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| Formula |
C26H32FNO3
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| Molecular Weight |
425.544
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| Canonical SMILES |
CC(=O)C1(c2ccccc2)CCN([C@@H]2C[C@H](OCc3ccc(F)cc3)CC[C@H]2O)CC1
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| InChI |
InChI=1S/C26H32FNO3/c1-19(29)26(21-5-3-2-4-6-21)13-15-28(16-14-26)24-17-23(11-12-25(24)30)31-18-20-7-9-22(27)10-8-20/h2-10,23-25,30H,11-18H2,1H3/t23-,24-,25-/m1/s1
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| InChIKey |
ZWSLMUONSGTQTD-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