General Information of the Compound
| Compound ID |
CP0360886
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| Compound Name |
(E)-3-(3-methoxy-4-oxidanyl-phenyl)-1-(5-nitrofuran-2-yl)prop-2-en-1-one
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| Structure |
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| Formula |
C14H11NO6
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| Molecular Weight |
289.243
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| Canonical SMILES |
COc1cc(\C=C\C(=O)c2ccc(o2)[N+]([O-])=O)ccc1O
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| InChI |
InChI=1S/C14H11NO6/c1-20-13-8-9(3-5-11(13)17)2-4-10(16)12-6-7-14(21-12)15(18)19/h2-8,17H,1H3/b4-2+
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| InChIKey |
FVJVZKRVTOCVQA-DUXPYHPUSA-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