General Information of the Compound
| Compound ID |
CP0514946
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| Compound Name |
5-Methyl-3-phenyl-isoxazole-4-carboxylic acid (5-nitro-thiazol-2-yl)-amide
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| Structure |
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| Formula |
C14H10N4O4S
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| Molecular Weight |
330.325
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| Canonical SMILES |
Cc1onc(c1C(=O)Nc1ncc(s1)[N+]([O-])=O)-c1ccccc1
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| InChI |
InChI=1S/C14H10N4O4S/c1-8-11(12(17-22-8)9-5-3-2-4-6-9)13(19)16-14-15-7-10(23-14)18(20)21/h2-7H,1H3,(H,15,16,19)
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| InChIKey |
UYYQKLFHMYQRSN-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