General Information of the Compound
| Compound ID |
CP0459311
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| Compound Name |
5-Methyl-1-(3-trifluoromethyl-phenyl)-1H-pyrazole-3-carboxylic acid pyridin-2-ylamide
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| Structure |
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| Formula |
C17H13F3N4O
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| Molecular Weight |
346.312
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| Canonical SMILES |
Cc1cc(nn1-c1cccc(c1)C(F)(F)F)C(=O)Nc1ccccn1
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| InChI |
InChI=1S/C17H13F3N4O/c1-11-9-14(16(25)22-15-7-2-3-8-21-15)23-24(11)13-6-4-5-12(10-13)17(18,19)20/h2-10H,1H3,(H,21,22,25)
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| InChIKey |
IQQKFFBIVHLYJK-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