General Information of the Compound
| Compound ID |
CP0727345
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| Compound Name |
allyl 6-methyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
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| Structure |
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| Formula |
C15H15N3O5
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| Molecular Weight |
317.301
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| Canonical SMILES |
C=CCOC(=O)C1=C(C)NC(=O)NC1c1ccc([N+](=O)[O-])cc1
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| InChI |
InChI=1S/C15H15N3O5/c1-3-8-23-14(19)12-9(2)16-15(20)17-13(12)10-4-6-11(7-5-10)18(21)22/h3-7,13H,1,8H2,2H3,(H2,16,17,20)
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| InChIKey |
UQMMKLTYWZOZBD-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