General Information of the Compound
| Compound ID |
CP0385452
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[2-[benzyl(ethylsulfonyl)amino]-6-(trifluoromethyl)pyridin-3-yl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H28F4N4O5S2
|
||||||||||||||||||
| Molecular Weight |
616.659
|
||||||||||||||||||
| Canonical SMILES |
CCS(=O)(=O)N(Cc1ccccc1)c1nc(ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H28F4N4O5S2/c1-4-41(38,39)34(16-18-8-6-5-7-9-18)24-20(11-13-23(32-24)26(28,29)30)15-31-25(35)17(2)19-10-12-22(21(27)14-19)33-40(3,36)37/h5-14,17,33H,4,15-16H2,1-3H3,(H,31,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RIPPGWQPCSZSKU-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