General Information of the Compound
| Compound ID |
CP0077031
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| Compound Name |
5-methyl-4-[(2-oxo-4-phenyl-6-propylchromen-7-yl)oxymethyl]furan-2-carboxylic acid
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| Structure |
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| Formula |
C25H22O6
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| Molecular Weight |
418.445
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| Canonical SMILES |
CCCc1cc2c(cc(=O)oc2cc1OCc1cc(oc1C)C(O)=O)-c1ccccc1
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| InChI |
InChI=1S/C25H22O6/c1-3-7-17-10-20-19(16-8-5-4-6-9-16)12-24(26)31-22(20)13-21(17)29-14-18-11-23(25(27)28)30-15(18)2/h4-6,8-13H,3,7,14H2,1-2H3,(H,27,28)
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| InChIKey |
PJYFYMFUBQILON-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: PT01930, Retinoic acid receptor RXR-alpha
Protein ID: PT01474, Retinoic acid receptor RXR-beta
Protein ID: PT02769, Retinoic acid receptor RXR-gamma