General Information of the Compound
| Compound ID |
CP0418404
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| Compound Name |
4-[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
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| Structure |
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| Formula |
C21H23ClFNO2
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| Molecular Weight |
375.871
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| Canonical SMILES |
OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccccc1Cl
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| InChI |
InChI=1S/C21H23ClFNO2/c22-19-5-2-1-4-18(19)21(26)11-14-24(15-12-21)13-3-6-20(25)16-7-9-17(23)10-8-16/h1-2,4-5,7-10,26H,3,6,11-15H2
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| InChIKey |
URKFGKZMXFFFIT-UHFFFAOYSA-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