General Information of the Compound
| Compound ID |
CP0552046
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| Compound Name |
3-oxido-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-3-ium
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| Structure |
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| Formula |
C11H8N4O
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| Molecular Weight |
212.212
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| Canonical SMILES |
[O-][n+]1c(nc2ccccn12)-c1ccncc1
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| InChI |
InChI=1S/C11H8N4O/c16-15-11(9-4-6-12-7-5-9)13-10-3-1-2-8-14(10)15/h1-8H
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| InChIKey |
NHTKUUZZZLGMJS-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