General Information of the Compound
| Compound ID |
CP0900135
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| Compound Name |
4-(ethylamino)-3-nitrobenzoic acid
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| Structure |
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| Formula |
C9H10N2O4
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| Molecular Weight |
210.189
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| Canonical SMILES |
CCNc1ccc(C(=O)O)cc1[N+](=O)[O-]
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| InChI |
InChI=1S/C9H10N2O4/c1-2-10-7-4-3-6(9(12)13)5-8(7)11(14)15/h3-5,10H,2H2,1H3,(H,12,13)
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| InChIKey |
XPLTXYDVYDWSSO-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