General Information of the Compound
| Compound ID |
CP0156314
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| Compound Name |
5-(3-chlorobenzyl)-6-(4-phenylpiperidin-1-yl)pyrimidine-2,4(1H,3H)-dione
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| Structure |
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| Formula |
C22H22ClN3O2
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| Molecular Weight |
395.89
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| Canonical SMILES |
Clc1cccc(Cc2c([nH]c(=O)[nH]c2=O)N2CCC(CC2)c2ccccc2)c1
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| InChI |
InChI=1S/C22H22ClN3O2/c23-18-8-4-5-15(13-18)14-19-20(24-22(28)25-21(19)27)26-11-9-17(10-12-26)16-6-2-1-3-7-16/h1-8,13,17H,9-12,14H2,(H2,24,25,27,28)
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| InChIKey |
IRZVQRHERMOSEM-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