General Information of the Compound
| Compound ID |
CP0498810
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| Compound Name |
4-(4-Chloro-phenyl)-1-[4-(4-fluoro-phenyl)-4-oxo-butyl]-piperidine-4-carboxylic acid dimethylamide
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| Structure |
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| Formula |
C24H28ClFN2O2
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| Molecular Weight |
430.951
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| Canonical SMILES |
CN(C)C(=O)C1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C24H28ClFN2O2/c1-27(2)23(30)24(19-7-9-20(25)10-8-19)13-16-28(17-14-24)15-3-4-22(29)18-5-11-21(26)12-6-18/h5-12H,3-4,13-17H2,1-2H3
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| InChIKey |
WMVSIGOLIQMRHF-UHFFFAOYSA-N
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| CAS |
1580-71-8
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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