General Information of the Compound
| Compound ID |
CP0296755
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| Compound Name |
5-benzyl-6-(3-phenylpiperidin-1-yl)pyrimidine-2,4(1H,3H)-dione
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| Structure |
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| Formula |
C22H23N3O2
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| Molecular Weight |
361.445
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| Canonical SMILES |
O=c1[nH]c(N2CCCC(C2)c2ccccc2)c(Cc2ccccc2)c(=O)[nH]1
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| InChI |
InChI=1S/C22H23N3O2/c26-21-19(14-16-8-3-1-4-9-16)20(23-22(27)24-21)25-13-7-12-18(15-25)17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15H2,(H2,23,24,26,27)
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| InChIKey |
QJAPWUPTHIMARS-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