General Information of the Compound
| Compound ID |
CP0401694
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| Compound Name |
N-(4-nitrophenyl)-3-phenyl-1H-pyrazole-5-carboxamide
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| Structure |
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| Formula |
C16H12N4O3
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| Molecular Weight |
308.297
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| Canonical SMILES |
[O-][N+](=O)c1ccc(NC(=O)c2cc([nH]n2)-c2ccccc2)cc1
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| InChI |
InChI=1S/C16H12N4O3/c21-16(17-12-6-8-13(9-7-12)20(22)23)15-10-14(18-19-15)11-4-2-1-3-5-11/h1-10H,(H,17,21)(H,18,19)
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| InChIKey |
QERYOTJCKVFNQY-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