General Information of the Compound
| Compound ID |
CP0429670
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| Compound Name |
1-butyl-6-methyl-5,7-dioxo-3-(1H-pyrrol-2-yl)-1,5,6,7-tetrahydropyrimido[5,4-e][1,2,4]triazine 4-oxide
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| Structure |
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| Formula |
C14H16N6O3
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| Molecular Weight |
316.321
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| Canonical SMILES |
CCCCn1nc(-c2ccc[nH]2)[n+]([O-])c2c1nc(=O)n(C)c2=O
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| InChI |
InChI=1S/C14H16N6O3/c1-3-4-8-19-12-10(13(21)18(2)14(22)16-12)20(23)11(17-19)9-6-5-7-15-9/h5-7,15H,3-4,8H2,1-2H3
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| InChIKey |
TUXLQABCMXGHAF-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