General Information of the Compound
| Compound ID |
CP0579456
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| Compound Name |
2-[1-[4-cyano-3-(trifluoromethyl)phenyl]pyrazol-3-yl]-N-(4-methylphenyl)acetamide
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| Structure |
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| Formula |
C20H15F3N4O
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| Molecular Weight |
384.361
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| Canonical SMILES |
Cc1ccc(NC(=O)Cc2ccn(n2)-c2ccc(C#N)c(c2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C20H15F3N4O/c1-13-2-5-15(6-3-13)25-19(28)10-16-8-9-27(26-16)17-7-4-14(12-24)18(11-17)20(21,22)23/h2-9,11H,10H2,1H3,(H,25,28)
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| InChIKey |
IVOKDBIUQATRHZ-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