General Information of the Compound
| Compound ID |
CP0196709
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| Compound Name |
(3E,5E)-3,5-bis[(3-methoxy-4-oxidanyl-phenyl)methylidene]oxan-4-one
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| Structure |
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| Formula |
C21H20O6
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| Molecular Weight |
368.385
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| Canonical SMILES |
COc1cc(\C=C2/COC\C(=C/c3ccc(O)c(OC)c3)C2=O)ccc1O
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| InChI |
InChI=1S/C21H20O6/c1-25-19-9-13(3-5-17(19)22)7-15-11-27-12-16(21(15)24)8-14-4-6-18(23)20(10-14)26-2/h3-10,22-23H,11-12H2,1-2H3/b15-7+,16-8+
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| InChIKey |
FNGUUSNEVVYVES-BGPOSVGRSA-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: PT01214, Tyrosine-protein kinase JAK2