General Information of the Compound
| Compound ID |
CP0459122
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| Compound Name |
2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)phenyl]acetic acid
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| Structure |
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| Formula |
C18H18O3
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| Molecular Weight |
282.339
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| Canonical SMILES |
OC(=O)Cc1ccc(COc2ccc3CCCc3c2)cc1
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| InChI |
InChI=1S/C18H18O3/c19-18(20)10-13-4-6-14(7-5-13)12-21-17-9-8-15-2-1-3-16(15)11-17/h4-9,11H,1-3,10,12H2,(H,19,20)
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| InChIKey |
FKDVOUNKBZEBLY-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