General Information of the Compound
| Compound ID |
CP0397654
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| Compound Name |
5-Methyl-1-phenyl-1H-pyrazole-3-carboxylic acid (3,5-dichloro-phenyl)-amide
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| Structure |
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| Formula |
C17H13Cl2N3O
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| Molecular Weight |
346.217
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| Canonical SMILES |
Cc1cc(nn1-c1ccccc1)C(=O)Nc1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C17H13Cl2N3O/c1-11-7-16(21-22(11)15-5-3-2-4-6-15)17(23)20-14-9-12(18)8-13(19)10-14/h2-10H,1H3,(H,20,23)
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| InChIKey |
PTTMRWPFUOSQPE-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