General Information of the Compound
| Compound ID |
CP0431964
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| Compound Name |
N-butyl-2,4-dioxopyrimidine-1-carboxamide
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| Structure |
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| Formula |
C9H13N3O3
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| Molecular Weight |
211.221
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| Canonical SMILES |
CCCCNC(=O)n1ccc(=O)[nH]c1=O
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| InChI |
InChI=1S/C9H13N3O3/c1-2-3-5-10-8(14)12-6-4-7(13)11-9(12)15/h4,6H,2-3,5H2,1H3,(H,10,14)(H,11,13,15)
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| InChIKey |
WHXBXWBJILSECA-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