General Information of the Compound
| Compound ID |
CP0440463
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(2,4-difluorophenyl)-2-[4-[[2-(4-ethylsulfonylphenyl)acetyl]amino]phenyl]-2-methylpropanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H26F2N2O4S
|
||||||||||||||||||
| Molecular Weight |
500.567
|
||||||||||||||||||
| Canonical SMILES |
CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(cc2)C(C)(C)C(=O)Nc2ccc(F)cc2F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H26F2N2O4S/c1-4-35(33,34)21-12-5-17(6-13-21)15-24(31)29-20-10-7-18(8-11-20)26(2,3)25(32)30-23-14-9-19(27)16-22(23)28/h5-14,16H,4,15H2,1-3H3,(H,29,31)(H,30,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RRCSJXJNTIZFGN-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
Protein ID: PT02663, Nuclear receptor ROR-gamma
Protein ID: PT05439, Nuclear receptor ROR-gamma