General Information of the Compound
| Compound ID |
CP0124883
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| Compound Name |
3-[(4-nitronaphthalen-1-yl)amino]benzoic acid
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| Synonyms |
N-(naphthylamino)-benzoate derivative 1
PMID28895472-Compound-28
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| Structure |
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| Formula |
C17H12N2O4
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| Molecular Weight |
308.293
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| Canonical SMILES |
OC(=O)c1cccc(Nc2ccc([N+]([O-])=O)c3ccccc23)c1
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| InChI |
InChI=1S/C17H12N2O4/c20-17(21)11-4-3-5-12(10-11)18-15-8-9-16(19(22)23)14-7-2-1-6-13(14)15/h1-10,18H,(H,20,21)
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| InChIKey |
ZLIDMWNTWSBTSM-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
Clinical Information about the Compound