General Information of the Compound
| Compound ID |
CP0418400
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| Compound Name |
4-(4-chlorophenyl)-1-[(Z)-4-(4-fluorophenyl)but-3-enyl]piperidin-4-ol
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| Structure |
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| Formula |
C21H23ClFNO
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| Molecular Weight |
359.872
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| Canonical SMILES |
OC1(CCN(CC\C=C/c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C21H23ClFNO/c22-19-8-6-18(7-9-19)21(25)12-15-24(16-13-21)14-2-1-3-17-4-10-20(23)11-5-17/h1,3-11,25H,2,12-16H2/b3-1-
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| InChIKey |
DJBHHEQBMOYWRH-IWQZZHSRSA-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