General Information of the Compound
| Compound ID |
CP0900136
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| Compound Name |
4-(allylamino)-3-nitrobenzoic acid
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| Structure |
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| Formula |
C10H10N2O4
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| Molecular Weight |
222.2
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| Canonical SMILES |
C=CCNc1ccc(C(=O)O)cc1[N+](=O)[O-]
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| InChI |
InChI=1S/C10H10N2O4/c1-2-5-11-8-4-3-7(10(13)14)6-9(8)12(15)16/h2-4,6,11H,1,5H2,(H,13,14)
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| InChIKey |
CLXPQLMFDNLGKL-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