General Information of the Compound
| Compound ID |
CP0963809
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| Compound Name |
4-Methoxybenzyl 2-oxo-6-isobutyl-4-phenyl-1, 2,3,4-tetrahydropyrimidine-5-carboxylate
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| Structure |
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| Formula |
C23H26N2O4
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| Molecular Weight |
394.471
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| Canonical SMILES |
COc1ccc(COC(=O)C2=C(CC(C)C)NC(=O)NC2c2ccccc2)cc1
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| InChI |
InChI=1S/C23H26N2O4/c1-15(2)13-19-20(21(25-23(27)24-19)17-7-5-4-6-8-17)22(26)29-14-16-9-11-18(28-3)12-10-16/h4-12,15,21H,13-14H2,1-3H3,(H2,24,25,27)
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| InChIKey |
SJSDKQMCPZUKQS-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