General Information of the Compound
| Compound ID |
CP0847948
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| Compound Name |
4-(methylamino)-3-nitrobenzoic acid
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| Structure |
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| Formula |
C8H8N2O4
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| Molecular Weight |
196.162
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| Canonical SMILES |
CNc1ccc(C(=O)O)cc1[N+](=O)[O-]
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| InChI |
InChI=1S/C8H8N2O4/c1-9-6-3-2-5(8(11)12)4-7(6)10(13)14/h2-4,9H,1H3,(H,11,12)
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| InChIKey |
KSMLIIWEQBYUKA-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