General Information of the Compound
Compound ID
CP0508381
Compound Name
5-chloro-2-fluoro-4-[[5-(furan-2-yl)-1,2,3,6-tetrahydropyridin-6-yl]methoxy]-N-(1,3-thiazol-4-yl)benzenesulfonamide
    Show/Hide
Structure
Formula
C19H17ClFN3O4S2
Molecular Weight
469.947
Canonical SMILES
Fc1cc(OCC2NCCC=C2c2ccco2)c(Cl)cc1S(=O)(=O)Nc1cscn1
    Show/Hide
InChI
InChI=1S/C19H17ClFN3O4S2/c20-13-7-18(30(25,26)24-19-10-29-11-23-19)14(21)8-17(13)28-9-15-12(3-1-5-22-15)16-4-2-6-27-16/h2-4,6-8,10-11,15,22,24H,1,5,9H2
    Show/Hide
InChIKey
FCISPVUPUGBPDI-UHFFFAOYSA-N
Physicochemical Property
logP
4.1537
Rotatable Bonds
7
Heavy Atom Count
30
Polar Areas
93.46
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
30

"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
CID: 137661781
ChEMBL ID
CHEMBL4097514
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: PT01000, Sodium channel protein type 9 subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 1540 nM
   TI
   LI
   LO
   TS