General Information of the Compound
| Compound ID |
CP0540289
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(2-fluoroanilino)-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H24F4N2O2
|
||||||||||||||||||
| Molecular Weight |
472.482
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1C1CCCN1C(=O)C(Nc1ccccc1F)c1ccc(cc1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H24F4N2O2/c1-34-23-11-5-2-7-19(23)22-10-6-16-32(22)25(33)24(31-21-9-4-3-8-20(21)27)17-12-14-18(15-13-17)26(28,29)30/h2-5,7-9,11-15,22,24,31H,6,10,16H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
IGZJKPXTCRCOHK-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