General Information of the Compound
| Compound ID |
CP0469346
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(2,3-dihydro-1H-inden-5-yloxymethyl)benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H16O3
|
||||||||||||||||||
| Molecular Weight |
268.312
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1ccccc1COc1ccc2CCCc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H16O3/c18-17(19)16-7-2-1-4-14(16)11-20-15-9-8-12-5-3-6-13(12)10-15/h1-2,4,7-10H,3,5-6,11H2,(H,18,19)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CPEIKVFFPXMHQI-UHFFFAOYSA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
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