General Information of the Compound
| Compound ID |
CP0467441
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[2-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)pyridin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H23F3N4O2
|
||||||||||||||||||
| Molecular Weight |
456.468
|
||||||||||||||||||
| Canonical SMILES |
CC1(C)CCN(c2ccccc12)c1ncccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H23F3N4O2/c1-23(2)13-15-31(20-8-4-3-6-18(20)23)21-19(7-5-14-28-21)30-22(32)29-16-9-11-17(12-10-16)33-24(25,26)27/h3-12,14H,13,15H2,1-2H3,(H2,29,30,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WFBIIKCFAHENBM-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