General Information of the Compound
| Compound ID |
CP0156313
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| Compound Name |
5-benzyl-6-(4-(3-chlorophenyl)piperidin-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(c1)C1CCN(CC1)c1[nH]c(=O)[nH]c(=O)c1Cc1ccccc1
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| InChI |
InChI=1S/C22H22ClN3O2/c23-18-8-4-7-17(14-18)16-9-11-26(12-10-16)20-19(21(27)25-22(28)24-20)13-15-5-2-1-3-6-15/h1-8,14,16H,9-13H2,(H2,24,25,27,28)
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| InChIKey |
IYIBSFQMWALFFX-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