General Information of the Compound
| Compound ID |
CP0389692
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]-N-[(1-methylindol-2-yl)methyl]aniline
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H26F3N3
|
||||||||||||||||||
| Molecular Weight |
521.586
|
||||||||||||||||||
| Canonical SMILES |
Cn1c(CNc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)cc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H26F3N3/c1-39-27(19-23-11-5-6-16-30(23)39)21-37-26-13-7-12-24(18-26)31-25(17-22-9-3-2-4-10-22)20-38-32-28(31)14-8-15-29(32)33(34,35)36/h2-16,18-20,37H,17,21H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
MJGWHEJLSWUCNL-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