General Information of the Compound
| Compound ID |
CP0524553
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| Compound Name |
3-Cyano-4-phenyl-N-(1-[2-chlorophenyl]-3-phenyl-1H-pyrazol-5-yl)benzamide
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| Structure |
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| Formula |
C29H19ClN4O
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| Molecular Weight |
474.951
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| Canonical SMILES |
Clc1ccccc1-n1nc(cc1NC(=O)c1ccc(-c2ccccc2)c(c1)C#N)-c1ccccc1
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| InChI |
InChI=1S/C29H19ClN4O/c30-25-13-7-8-14-27(25)34-28(18-26(33-34)21-11-5-2-6-12-21)32-29(35)22-15-16-24(23(17-22)19-31)20-9-3-1-4-10-20/h1-18H,(H,32,35)
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| InChIKey |
OAXZPTTYXBVVPR-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