General Information of the Compound
| Compound ID |
CP0401615
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| Compound Name |
(E)-1-(5-nitro-2-furanyl)-3-(3-nitrophenyl)-2-propen-1-one
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| Structure |
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| Formula |
C13H8N2O6
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| Molecular Weight |
288.215
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| Canonical SMILES |
[O-][N+](=O)c1ccc(o1)C(=O)\C=C\c1cccc(c1)[N+]([O-])=O
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| InChI |
InChI=1S/C13H8N2O6/c16-11(12-6-7-13(21-12)15(19)20)5-4-9-2-1-3-10(8-9)14(17)18/h1-8H/b5-4+
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| InChIKey |
LBAWXTJNRZSULI-SNAWJCMRSA-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