General Information of the Compound
| Compound ID |
CP0468011
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| Compound Name |
4-[4-[4-(dimethylamino)phenyl]-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
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| Structure |
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| Formula |
C23H29FN2O2
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| Molecular Weight |
384.495
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| Canonical SMILES |
CN(C)c1ccc(cc1)C1(O)CCN(CCCC(=O)c2ccc(F)cc2)CC1
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| InChI |
InChI=1S/C23H29FN2O2/c1-25(2)21-11-7-19(8-12-21)23(28)13-16-26(17-14-23)15-3-4-22(27)18-5-9-20(24)10-6-18/h5-12,28H,3-4,13-17H2,1-2H3
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| InChIKey |
QSJWHLQITDTDHF-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