General Information of the Compound
Compound ID
CP0349448
Compound Name
N-(6-methoxy-2-methylquinolin-8-yl)-4-methylbenzenesulfonamide
    Show/Hide
Structure
Formula
C18H18N2O3S
Molecular Weight
342.42
Canonical SMILES
COc1cc(NS(=O)(=O)c2ccc(C)cc2)c2nc(C)ccc2c1
    Show/Hide
InChI
InChI=1S/C18H18N2O3S/c1-12-4-8-16(9-5-12)24(21,22)20-17-11-15(23-3)10-14-7-6-13(2)19-18(14)17/h4-11,20H,1-3H3
    Show/Hide
InChIKey
KLMFRGYXBZFEPX-UHFFFAOYSA-N
Physicochemical Property
logP
3.66104
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
68.29
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
24

"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: 15531227
ChEMBL ID
CHEMBL256244
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: PT05222, NF-kappa-B inhibitor alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000106 OCI-Ly3 Homo sapiens (Human)  1
1
EC50 = 20000 nM
   TI
   LI
   LO
   TS