General Information of the Compound
| Compound ID |
CP0431865
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| Compound Name |
4-nitro-N-(1-(2-bromophenyl)-3-phenyl-1H-pyrazol-5-yl)benzamide
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| Structure |
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| Formula |
C22H15BrN4O3
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| Molecular Weight |
463.291
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| Canonical SMILES |
[O-][N+](=O)c1ccc(cc1)C(=O)Nc1cc(nn1-c1ccccc1Br)-c1ccccc1
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| InChI |
InChI=1S/C22H15BrN4O3/c23-18-8-4-5-9-20(18)26-21(14-19(25-26)15-6-2-1-3-7-15)24-22(28)16-10-12-17(13-11-16)27(29)30/h1-14H,(H,24,28)
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| InChIKey |
GFWHHPKVTZVFDX-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