General Information of the Compound
| Compound ID |
CP0432034
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[2-(2'-trifluoromethyl-biphenyl-4-yl)-quinolin-4-ylamino]-propionic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H19F3N2O2
|
||||||||||||||||||
| Molecular Weight |
436.433
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)CCNc1cc(nc2ccccc12)-c1ccc(cc1)-c1ccccc1C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H19F3N2O2/c26-25(27,28)20-7-3-1-5-18(20)16-9-11-17(12-10-16)22-15-23(29-14-13-24(31)32)19-6-2-4-8-21(19)30-22/h1-12,15H,13-14H2,(H,29,30)(H,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YSPVSIDYPNVZFB-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