General Information of the Compound
| Compound ID |
CP0442109
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| Compound Name |
3-cyano-N-(1,3-diphenyl-1H-pyrazol-4-yl)benzamide
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| Structure |
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| Formula |
C23H16N4O
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| Molecular Weight |
364.408
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| Canonical SMILES |
O=C(Nc1cn(nc1-c1ccccc1)-c1ccccc1)c1cccc(c1)C#N
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| InChI |
InChI=1S/C23H16N4O/c24-15-17-8-7-11-19(14-17)23(28)25-21-16-27(20-12-5-2-6-13-20)26-22(21)18-9-3-1-4-10-18/h1-14,16H,(H,25,28)
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| InChIKey |
BGEGUNBZIDUNMQ-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