General Information of the Compound
| Compound ID |
CP0397213
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| Compound Name |
2-[2-hydroxyethyl-(7-nitro-3-oxidanidyl-2,1,3-benzoxadiazol-3-ium-4-yl)amino]ethanol
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| Structure |
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| Formula |
C10H12N4O6
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| Molecular Weight |
284.228
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| Canonical SMILES |
OCCN(CCO)c1[cH-]cc([N+]([O-])=O)[c+]2[n-]o[n+](=O)c12
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| InChI |
InChI=1S/C10H12N4O6/c15-5-3-12(4-6-16)8-2-1-7(13(17)18)9-10(8)14(19)20-11-9/h1-2,15-16H,3-6H2
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| InChIKey |
TXBLXYIFRHQOPU-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
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3