General Information of the Compound
| Compound ID |
CP0457939
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| Compound Name |
3-nitro-N-(4-nitro-2-phenylmethoxyphenyl)benzamide
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| Structure |
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| Formula |
C20H15N3O6
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| Molecular Weight |
393.355
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| Canonical SMILES |
[O-][N+](=O)c1cccc(c1)C(=O)Nc1ccc(cc1OCc1ccccc1)[N+]([O-])=O
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| InChI |
InChI=1S/C20H15N3O6/c24-20(15-7-4-8-16(11-15)22(25)26)21-18-10-9-17(23(27)28)12-19(18)29-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,21,24)
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| InChIKey |
PCPJODAODFMDER-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