General Information of the Compound
| Compound ID |
CP0417949
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| Compound Name |
N-(4-bromophenyl)-3-phenyl-1H-pyrazole-5-carboxamide
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| Structure |
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| Formula |
C16H12BrN3O
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| Molecular Weight |
342.196
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| Canonical SMILES |
Brc1ccc(NC(=O)c2cc([nH]n2)-c2ccccc2)cc1
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| InChI |
InChI=1S/C16H12BrN3O/c17-12-6-8-13(9-7-12)18-16(21)15-10-14(19-20-15)11-4-2-1-3-5-11/h1-10H,(H,18,21)(H,19,20)
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| InChIKey |
MQTJTMNGZBTQSB-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