General Information of the Compound
| Compound ID |
CP0578068
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| Compound Name |
4-cyano-N-[[1-[4-cyano-3-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]benzamide
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| Structure |
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| Formula |
C20H12F3N5O
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| Molecular Weight |
395.344
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| Canonical SMILES |
FC(F)(F)c1cc(ccc1C#N)-n1ccc(CNC(=O)c2ccc(cc2)C#N)n1
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| InChI |
InChI=1S/C20H12F3N5O/c21-20(22,23)18-9-17(6-5-15(18)11-25)28-8-7-16(27-28)12-26-19(29)14-3-1-13(10-24)2-4-14/h1-9H,12H2,(H,26,29)
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| InChIKey |
CQBUWHLMHLJGEC-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