General Information of the Compound
Compound ID
CP0457822
Compound Name
2-amino-N-(6-methoxy-2-methylquinolin-8-yl)-4-methylbenzenesulfonamide
    Show/Hide
Structure
Formula
C18H19N3O3S
Molecular Weight
357.435
Canonical SMILES
COc1cc(NS(=O)(=O)c2ccc(C)cc2N)c2nc(C)ccc2c1
    Show/Hide
InChI
InChI=1S/C18H19N3O3S/c1-11-4-7-17(15(19)8-11)25(22,23)21-16-10-14(24-3)9-13-6-5-12(2)20-18(13)16/h4-10,21H,19H2,1-3H3
    Show/Hide
InChIKey
SAPWBNJQBATSRN-UHFFFAOYSA-N
Physicochemical Property
logP
3.24324
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
94.31
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
25

"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: 16759926
ChEMBL ID
CHEMBL401505
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)  2
1
EC50 = 3000 nM
   TI
   LI
   LO
   TS
2
EC50 = 9400 nM
   TI
   LI
   LO
   TS