General Information of the Compound
| Compound ID |
CP0505257
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[2-[(2-chlorophenyl)methylsulfanyl]-6-(trifluoromethyl)pyridin-3-yl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H22ClF4N3O3S2
|
||||||||||||||||||
| Molecular Weight |
576.037
|
||||||||||||||||||
| Canonical SMILES |
CC(C(=O)NCc1ccc(nc1SCc1ccccc1Cl)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H22ClF4N3O3S2/c1-14(15-7-9-20(19(26)11-15)32-37(2,34)35)22(33)30-12-16-8-10-21(24(27,28)29)31-23(16)36-13-17-5-3-4-6-18(17)25/h3-11,14,32H,12-13H2,1-2H3,(H,30,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SRIVBTPJBMJUTC-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: PT02183, Transient receptor potential cation channel subfamily V member 1