General Information of the Compound
| Compound ID |
CP0576551
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| Compound Name |
methyl 4-(3-oxido-[1,2,4]triazolo[1,5-a]pyridin-3-ium-2-yl)benzoate
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| Structure |
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| Formula |
C14H11N3O3
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| Molecular Weight |
269.26
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| Canonical SMILES |
COC(=O)c1ccc(cc1)-c1nc2ccccn2[n+]1[O-]
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| InChI |
InChI=1S/C14H11N3O3/c1-20-14(18)11-7-5-10(6-8-11)13-15-12-4-2-3-9-16(12)17(13)19/h2-9H,1H3
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| InChIKey |
NKFZXASNERKRGI-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