General Information of the Compound
| Compound ID |
CP0524239
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| Compound Name |
4-cyano-N-(4-nitro-2-phenylmethoxyphenyl)benzamide
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| Structure |
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| Formula |
C21H15N3O4
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| Molecular Weight |
373.368
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| Canonical SMILES |
[O-][N+](=O)c1ccc(NC(=O)c2ccc(cc2)C#N)c(OCc2ccccc2)c1
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| InChI |
InChI=1S/C21H15N3O4/c22-13-15-6-8-17(9-7-15)21(25)23-19-11-10-18(24(26)27)12-20(19)28-14-16-4-2-1-3-5-16/h1-12H,14H2,(H,23,25)
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| InChIKey |
HJHGFKUKJRDKON-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