General Information of the Compound
| Compound ID |
CP0909309
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| Compound Name |
ethyl 5-methyl-1-(4-oxo-3,4-dihydropyrrolo[1,2-f][1,2,4]triazin-2-yl)-1H-1,2,3-triazole-4-carboxylate
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| Structure |
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| Formula |
C12H12N6O3
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| Molecular Weight |
288.267
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| Canonical SMILES |
CCOC(=O)c1nnn(-c2nn3cccc3c(=O)[nH]2)c1C
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| InChI |
InChI=1S/C12H12N6O3/c1-3-21-11(20)9-7(2)18(16-14-9)12-13-10(19)8-5-4-6-17(8)15-12/h4-6H,3H2,1-2H3,(H,13,15,19)
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| InChIKey |
KYHOKVMXVPHKEE-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