General Information of the Compound
| Compound ID |
CP0458494
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[2-(4'-methyl-biphenyl-4-yl)-quinolin-4-ylamino]-propionic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H22N2O2
|
||||||||||||||||||
| Molecular Weight |
382.463
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(cc1)-c1ccc(cc1)-c1cc(NCCC(O)=O)c2ccccc2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H22N2O2/c1-17-6-8-18(9-7-17)19-10-12-20(13-11-19)23-16-24(26-15-14-25(28)29)21-4-2-3-5-22(21)27-23/h2-13,16H,14-15H2,1H3,(H,26,27)(H,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MFANWYKTNNIZQW-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