General Information of the Compound
| Compound ID |
CP0566652
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-(3-fluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H29F5N4O3S
|
||||||||||||||||||
| Molecular Weight |
596.622
|
||||||||||||||||||
| Canonical SMILES |
CC1CCN(CC1)c1nc(ccc1CNC(=O)C(c1cccc(F)c1)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H29F5N4O3S/c1-17-10-12-37(13-11-17)26-20(7-9-24(35-26)28(31,32)33)16-34-27(38)25(18-4-3-5-21(29)14-18)19-6-8-23(22(30)15-19)36-41(2,39)40/h3-9,14-15,17,25,36H,10-13,16H2,1-2H3,(H,34,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZEAZUKHHCGIWEL-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