General Information of the Compound
| Compound ID |
CP0882980
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| Compound Name |
3-nitro-4-((tetrahydrofuran-2-yl)methylamino)benzoic acid
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| Structure |
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| Formula |
C12H14N2O5
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| Molecular Weight |
266.253
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| Canonical SMILES |
O=C(O)c1ccc(NCC2CCCO2)c([N+](=O)[O-])c1
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| InChI |
InChI=1S/C12H14N2O5/c15-12(16)8-3-4-10(11(6-8)14(17)18)13-7-9-2-1-5-19-9/h3-4,6,9,13H,1-2,5,7H2,(H,15,16)
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| InChIKey |
XZOJOADZBOXPHS-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