General Information of the Compound
| Compound ID |
CP0054510
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| Compound Name |
(R)-(3-Hydroxy-2-methoxyphenyl)-(1-(2-p-fluorophenylethyl)-piperidine-4-yl)-methanol
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| Structure |
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| Formula |
C21H26FNO3
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| Molecular Weight |
359.441
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| Canonical SMILES |
COc1c(O)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1
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| InChI |
InChI=1S/C21H26FNO3/c1-26-21-18(3-2-4-19(21)24)20(25)16-10-13-23(14-11-16)12-9-15-5-7-17(22)8-6-15/h2-8,16,20,24-25H,9-14H2,1H3/t20-/m1/s1
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| InChIKey |
DVDGOKMQDYFKFY-HXUWFJFHSA-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