General Information of the Compound
| Compound ID |
CP0535100
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| Compound Name |
4-[4-(4-nitrobenzoyl)benzoyl]benzoic acid
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| Structure |
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| Formula |
C21H13NO6
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| Molecular Weight |
375.336
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| Canonical SMILES |
OC(=O)c1ccc(cc1)C(=O)c1ccc(cc1)C(=O)c1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C21H13NO6/c23-19(15-5-7-17(8-6-15)21(25)26)13-1-3-14(4-2-13)20(24)16-9-11-18(12-10-16)22(27)28/h1-12H,(H,25,26)
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| InChIKey |
GNFJSZALBYKAJJ-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