General Information of the Compound
| Compound ID |
CP0531902
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| Compound Name |
2-[(2-nitrophenyl)methylidene]propanedioic acid
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| Structure |
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| Formula |
C10H7NO6
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| Molecular Weight |
237.167
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| Canonical SMILES |
OC(=O)C(=Cc1ccccc1[N+]([O-])=O)C(O)=O
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| InChI |
InChI=1S/C10H7NO6/c12-9(13)7(10(14)15)5-6-3-1-2-4-8(6)11(16)17/h1-5H,(H,12,13)(H,14,15)
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| InChIKey |
PWOSYAXUKPDKHQ-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