General Information of the Compound
| Compound ID |
CP0823418
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| Compound Name |
1-(4-oxo-3,4-dihydropyrrolo[1,2-f][1,2,4]triazin-2-yl)-1H-1,2,3-triazole-4-carboxylic acid
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| Structure |
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| Formula |
C9H6N6O3
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| Molecular Weight |
246.186
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| Canonical SMILES |
O=C(O)c1cn(-c2nn3cccc3c(=O)[nH]2)nn1
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| InChI |
InChI=1S/C9H6N6O3/c16-7-6-2-1-3-14(6)12-9(10-7)15-4-5(8(17)18)11-13-15/h1-4H,(H,17,18)(H,10,12,16)
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| InChIKey |
UASQMQBNOAYACJ-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