General Information of the Compound
| Compound ID |
CP0510065
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(2-hexylphenyl)-2,3-dihydro-1H-isoindole-1,3-dione
Show/Hide
|
||||||||||||||||||
| Synonyms |
2-(2-hexylphenyl)isoindoline-1,3-dione
BDBM23841
CHEMBL245943
PP60
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H21NO2
|
||||||||||||||||||
| Molecular Weight |
307.393
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCc1ccccc1N1C(=O)c2ccccc2C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H21NO2/c1-2-3-4-5-10-15-11-6-9-14-18(15)21-19(22)16-12-7-8-13-17(16)20(21)23/h6-9,11-14H,2-5,10H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
USXHUJLIZBGCGH-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: PT01555, Oxysterols receptor LXR-alpha
Protein ID: PT01887, Oxysterols receptor LXR-beta
Clinical Information about the Compound