General Information of the Compound
| Compound ID |
CP0422619
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| Compound Name |
4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(3-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)c2cccc(F)c2)CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C21H23ClFNO2/c22-18-8-6-17(7-9-18)21(26)10-13-24(14-11-21)12-2-5-20(25)16-3-1-4-19(23)15-16/h1,3-4,6-9,15,26H,2,5,10-14H2
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| InChIKey |
DUHKHQKTAJUAJL-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