General Information of the Compound
| Compound ID |
CP0382142
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[3-cyano-2-(2'-ethoxy-biphenyl-4-yl)-6-fluoro-quinolin-4-ylamino]-4,4,4-trifluoro-butyric acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H21F4N3O3
|
||||||||||||||||||
| Molecular Weight |
523.486
|
||||||||||||||||||
| Canonical SMILES |
CCOc1ccccc1-c1ccc(cc1)-c1nc2ccc(F)cc2c(NC(CC(F)(F)F)C(O)=O)c1C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H21F4N3O3/c1-2-38-24-6-4-3-5-19(24)16-7-9-17(10-8-16)25-21(15-33)26(20-13-18(29)11-12-22(20)34-25)35-23(27(36)37)14-28(30,31)32/h3-13,23H,2,14H2,1H3,(H,34,35)(H,36,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
STAUHDPRKSDZTQ-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