General Information of the Compound
| Compound ID |
CP0867072
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| Compound Name |
4-Methoxybenzyl 6-methyl-2-oxo-4-(thiophen-3-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
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| Structure |
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| Formula |
C18H18N2O4S
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| Molecular Weight |
358.419
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| Canonical SMILES |
COc1ccc(COC(=O)C2=C(C)NC(=O)NC2c2ccsc2)cc1
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| InChI |
InChI=1S/C18H18N2O4S/c1-11-15(16(20-18(22)19-11)13-7-8-25-10-13)17(21)24-9-12-3-5-14(23-2)6-4-12/h3-8,10,16H,9H2,1-2H3,(H2,19,20,22)
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| InChIKey |
MMYQYTWMWPZWLN-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