General Information of the Compound
| Compound ID |
CP0963125
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| Compound Name |
4-Methoxybenzyl 6-ethyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
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| Structure |
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| Formula |
C21H22N2O4
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| Molecular Weight |
366.417
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| Canonical SMILES |
CCC1=C(C(=O)OCc2ccc(OC)cc2)C(c2ccccc2)NC(=O)N1
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| InChI |
InChI=1S/C21H22N2O4/c1-3-17-18(19(23-21(25)22-17)15-7-5-4-6-8-15)20(24)27-13-14-9-11-16(26-2)12-10-14/h4-12,19H,3,13H2,1-2H3,(H2,22,23,25)
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| InChIKey |
CYSQLQKIDRFREY-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