General Information of the Compound
| Compound ID |
CP0423983
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| Compound Name |
5-Nitro-furan-2-carboxylic acid {3-[(furan-2-carbonyl)-amino]-phenyl}-amide
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| Structure |
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| Formula |
C16H11N3O6
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| Molecular Weight |
341.279
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| Canonical SMILES |
[O-][N+](=O)c1ccc(o1)C(=O)Nc1cccc(NC(=O)c2ccco2)c1
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| InChI |
InChI=1S/C16H11N3O6/c20-15(12-5-2-8-24-12)17-10-3-1-4-11(9-10)18-16(21)13-6-7-14(25-13)19(22)23/h1-9H,(H,17,20)(H,18,21)
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| InChIKey |
ULWDBWHXYUCIPU-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3
Protein ID: PT06124, Paired box protein Pax-8