General Information of the Compound
| Compound ID |
CP0535550
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| Compound Name |
5-Methyl-1-(3-trifluoromethyl-phenyl)-1H-pyrazole-3-carboxylic acid isoquinolin-5-ylamide
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| Structure |
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| Formula |
C21H15F3N4O
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| Molecular Weight |
396.372
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| Canonical SMILES |
Cc1cc(nn1-c1cccc(c1)C(F)(F)F)C(=O)Nc1cccc2cnccc12
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| InChI |
InChI=1S/C21H15F3N4O/c1-13-10-19(27-28(13)16-6-3-5-15(11-16)21(22,23)24)20(29)26-18-7-2-4-14-12-25-9-8-17(14)18/h2-12H,1H3,(H,26,29)
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| InChIKey |
CPNKPIYIMJJWTI-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