General Information of the Compound
| Compound ID |
CP0471619
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(3-piperidin-1-ylpropylsulfanyl)-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H32F4N4O3S2
|
||||||||||||||||||
| Molecular Weight |
576.682
|
||||||||||||||||||
| Canonical SMILES |
CC(C(=O)NCc1ccc(nc1SCCCN1CCCCC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H32F4N4O3S2/c1-17(18-7-9-21(20(26)15-18)32-38(2,35)36)23(34)30-16-19-8-10-22(25(27,28)29)31-24(19)37-14-6-13-33-11-4-3-5-12-33/h7-10,15,17,32H,3-6,11-14,16H2,1-2H3,(H,30,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VXMMMOKTWYIDBX-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