General Information of the Compound
| Compound ID |
CP0529617
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-piperidin-4-yloxy-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H26F4N4O4S
|
||||||||||||||||||
| Molecular Weight |
518.533
|
||||||||||||||||||
| Canonical SMILES |
CC(C(=O)NCc1ccc(nc1OC1CCNCC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H26F4N4O4S/c1-13(14-3-5-18(17(23)11-14)30-35(2,32)33)20(31)28-12-15-4-6-19(22(24,25)26)29-21(15)34-16-7-9-27-10-8-16/h3-6,11,13,16,27,30H,7-10,12H2,1-2H3,(H,28,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NXBQAOCIJIMVIJ-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