General Information of the Compound
| Compound ID |
CP0441025
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| Compound Name |
3-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)phenyl]propanoic acid
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| Structure |
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| Formula |
C19H20O3
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| Molecular Weight |
296.366
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| Canonical SMILES |
OC(=O)CCc1ccc(COc2ccc3CCCc3c2)cc1
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| InChI |
InChI=1S/C19H20O3/c20-19(21)11-8-14-4-6-15(7-5-14)13-22-18-10-9-16-2-1-3-17(16)12-18/h4-7,9-10,12H,1-3,8,11,13H2,(H,20,21)
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| InChIKey |
MJXUNTFOTRPPSB-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