General Information of the Compound
| Compound ID |
CP0862810
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| Compound Name |
4-(2-methoxyethylamino)-3-nitrobenzoic acid
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| Structure |
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| Formula |
C10H12N2O5
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| Molecular Weight |
240.215
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| Canonical SMILES |
COCCNc1ccc(C(=O)O)cc1[N+](=O)[O-]
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| InChI |
InChI=1S/C10H12N2O5/c1-17-5-4-11-8-3-2-7(10(13)14)6-9(8)12(15)16/h2-3,6,11H,4-5H2,1H3,(H,13,14)
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| InChIKey |
RSCXWQLDHNTXQJ-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