General Information of the Compound
Compound ID
CP0148215
Compound Name
5-Bromo-2-methoxy-N-(quinolin-3-yl)benzenesulfonamide
    Show/Hide
Structure
Formula
C16H13BrN2O3S
Molecular Weight
393.262
Canonical SMILES
COc1ccc(Br)cc1S(=O)(=O)Nc1cnc2ccccc2c1
    Show/Hide
InChI
InChI=1S/C16H13BrN2O3S/c1-22-15-7-6-12(17)9-16(15)23(20,21)19-13-8-11-4-2-3-5-14(11)18-10-13/h2-10,19H,1H3
    Show/Hide
InChIKey
IHNOYALGNIQKKQ-UHFFFAOYSA-N
Physicochemical Property
logP
3.8067
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
68.29
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
23

"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: 16654644
SID: 87225205
ChEMBL ID
CHEMBL569639
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: PT01329, Alkaline phosphatase, tissue-nonspecific isozyme
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000109 COS-1 Chlorocebus aethiops (Green monkey)  1
1
IC50 = 120 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 6 nM
2 IC50 > 20000 nM