General Information of the Compound
| Compound ID |
CP0429669
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| Compound Name |
1-butyl-6-methyl-3-(5-methylthiophen-2-yl)-5,7-dioxo-1,5,6,7-tetrahydropyrimido[5,4-e][1,2,4]triazine 4-oxide
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| Structure |
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| Formula |
C15H17N5O3S
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| Molecular Weight |
347.4
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| Canonical SMILES |
CCCCn1nc(-c2ccc(C)s2)[n+]([O-])c2c1nc(=O)n(C)c2=O
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| InChI |
InChI=1S/C15H17N5O3S/c1-4-5-8-19-13-11(14(21)18(3)15(22)16-13)20(23)12(17-19)10-7-6-9(2)24-10/h6-7H,4-5,8H2,1-3H3
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| InChIKey |
UDMKVJCASYFONX-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