General Information of the Compound
| Compound ID |
CP0080094
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| Compound Name |
2-(4-aminobenzoyl)-5-methyl-1H-pyrazol-3-one
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| Structure |
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| Formula |
C11H11N3O2
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| Molecular Weight |
217.228
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| Canonical SMILES |
Cc1cc(=O)n([nH]1)C(=O)c1ccc(N)cc1
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| InChI |
InChI=1S/C11H11N3O2/c1-7-6-10(15)14(13-7)11(16)8-2-4-9(12)5-3-8/h2-6,13H,12H2,1H3
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| InChIKey |
LKCGDUPROIAFBC-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: PT01329, Alkaline phosphatase, tissue-nonspecific isozyme
Protein ID: PT01001, E3 ubiquitin-protein ligase XIAP
Protein ID: PT02911, Ectonucleoside triphosphate diphosphohydrolase 1
Protein ID: PT01953, Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
Protein ID: PT03249, Ectonucleotide pyrophosphatase/phosphodiesterase family member 3