General Information of the Compound
| Compound ID |
CP0394759
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-({[3-(3-benzyl-8-chloroquinolin-4-yl)phenyl]amino}methyl)phenyl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H25ClN2O2
|
||||||||||||||||||
| Molecular Weight |
493.006
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)Cc1ccc(CNc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(Cl)cccc23)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H25ClN2O2/c32-28-11-5-10-27-30(25(20-34-31(27)28)16-21-6-2-1-3-7-21)24-8-4-9-26(18-24)33-19-23-14-12-22(13-15-23)17-29(35)36/h1-15,18,20,33H,16-17,19H2,(H,35,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MFLGRDLZNMSORM-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