General Information of the Compound
| Compound ID |
CP0545343
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| Compound Name |
2-[1-[4-cyano-3-(trifluoromethyl)phenyl]pyrazol-3-yl]-N-pyridin-4-ylacetamide
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| Structure |
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| Formula |
C18H12F3N5O
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| Molecular Weight |
371.322
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| Canonical SMILES |
FC(F)(F)c1cc(ccc1C#N)-n1ccc(CC(=O)Nc2ccncc2)n1
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| InChI |
InChI=1S/C18H12F3N5O/c19-18(20,21)16-10-15(2-1-12(16)11-22)26-8-5-14(25-26)9-17(27)24-13-3-6-23-7-4-13/h1-8,10H,9H2,(H,23,24,27)
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| InChIKey |
ADDPIMIKAGGXNT-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