General Information of the Compound
| Compound ID |
CP0435464
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| Compound Name |
(E)-N-(2,5-diphenylpyrazol-3-yl)-3-(4-nitrophenyl)prop-2-enamide
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| Structure |
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| Formula |
C24H18N4O3
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| Molecular Weight |
410.433
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| Canonical SMILES |
[O-][N+](=O)c1ccc(\C=C\C(=O)Nc2cc(nn2-c2ccccc2)-c2ccccc2)cc1
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| InChI |
InChI=1S/C24H18N4O3/c29-24(16-13-18-11-14-21(15-12-18)28(30)31)25-23-17-22(19-7-3-1-4-8-19)26-27(23)20-9-5-2-6-10-20/h1-17H,(H,25,29)/b16-13+
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| InChIKey |
RXGKEAWLRDYIJZ-DTQAZKPQSA-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