General Information of the Compound
| Compound ID |
CP0152706
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| Compound Name |
(5Z)-5-[5-(3,4-dimethoxyphenyl)-1,2-dihydropyrazol-3-ylidene]-4,7-dimethoxy-1-benzofuran-6-one
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| Structure |
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| Formula |
C21H20N2O6
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| Molecular Weight |
396.399
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| Canonical SMILES |
COc1ccc(cc1OC)-c1cc(n[nH]1)-c1c(O)c(OC)c2occc2c1OC
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| InChI |
InChI=1S/C21H20N2O6/c1-25-15-6-5-11(9-16(15)26-2)13-10-14(23-22-13)17-18(24)21(28-4)20-12(7-8-29-20)19(17)27-3/h5-10,24H,1-4H3,(H,22,23)
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| InChIKey |
UTTFYVHOQQXZHJ-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3