General Information of the Compound
| Compound ID |
CP0448167
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| Compound Name |
3-benzoyl-5,6-dimethyl-1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C28H33N3O4
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| Molecular Weight |
475.589
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| Canonical SMILES |
Cc1c(C)c(=O)n(C(=O)c2ccccc2)c(=O)n1Cc1ccc(OCCCN2CCCCC2)cc1
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| InChI |
InChI=1S/C28H33N3O4/c1-21-22(2)30(28(34)31(26(21)32)27(33)24-10-5-3-6-11-24)20-23-12-14-25(15-13-23)35-19-9-18-29-16-7-4-8-17-29/h3,5-6,10-15H,4,7-9,16-20H2,1-2H3
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| InChIKey |
YSBXANFXOUHQRT-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