General Information of the Compound
| Compound ID |
CP0456178
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(2,3-dihydro-1H-inden-5-yloxymethyl)benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H16O3
|
||||||||||||||||||
| Molecular Weight |
268.312
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1cccc(COc2ccc3CCCc3c2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H16O3/c18-17(19)15-6-1-3-12(9-15)11-20-16-8-7-13-4-2-5-14(13)10-16/h1,3,6-10H,2,4-5,11H2,(H,18,19)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JJGPEMVLUHQHIV-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: PT06109, Geminin
Protein ID: PT06353, Mas-related G-protein coupled receptor member X4
Protein ID: PT06124, Paired box protein Pax-8