General Information of the Compound
| Compound ID |
CP0437870
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| Compound Name |
4-[4-(4-chlorophenyl)-4-methoxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
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| Structure |
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| Formula |
C22H25ClFNO2
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| Molecular Weight |
389.898
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| Canonical SMILES |
COC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C22H25ClFNO2/c1-27-22(18-6-8-19(23)9-7-18)12-15-25(16-13-22)14-2-3-21(26)17-4-10-20(24)11-5-17/h4-11H,2-3,12-16H2,1H3
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| InChIKey |
UDJZPTLAQVDZMH-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