General Information of the Compound
| Compound ID |
CP0896137
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| Compound Name |
4-(cyclopropylamino)-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 |
O=C(O)c1ccc(NC2CC2)c([N+](=O)[O-])c1
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| InChI |
InChI=1S/C10H10N2O4/c13-10(14)6-1-4-8(11-7-2-3-7)9(5-6)12(15)16/h1,4-5,7,11H,2-3H2,(H,13,14)
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| InChIKey |
IKTICLQCJRBVRS-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