General Information of the Compound
| Compound ID |
CP0445562
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| Compound Name |
3-cyano-N-(1-(2-bromophenyl)-3-phenyl-1H-pyrazol-5-yl)-benzamide
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| Structure |
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| Formula |
C23H15BrN4O
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| Molecular Weight |
443.304
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| Canonical SMILES |
Brc1ccccc1-n1nc(cc1NC(=O)c1cccc(c1)C#N)-c1ccccc1
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| InChI |
InChI=1S/C23H15BrN4O/c24-19-11-4-5-12-21(19)28-22(14-20(27-28)17-8-2-1-3-9-17)26-23(29)18-10-6-7-16(13-18)15-25/h1-14H,(H,26,29)
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| InChIKey |
LHFZHYTYWZEPBR-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