General Information of the Compound
| Compound ID |
CP0000895
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| Compound Name |
dimethyl 2-[(2-nitrophenyl)methylidene]propanedioate
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| Structure |
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| Formula |
C12H11NO6
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| Molecular Weight |
265.221
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| Canonical SMILES |
COC(=O)C(=Cc1ccccc1[N+]([O-])=O)C(=O)OC
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| InChI |
InChI=1S/C12H11NO6/c1-18-11(14)9(12(15)19-2)7-8-5-3-4-6-10(8)13(16)17/h3-7H,1-2H3
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| InChIKey |
LKLMASCOTOBEMT-UHFFFAOYSA-N
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| CAS |
65974-52-9
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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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT03041, Toll-like receptor 4