General Information of the Compound
Compound ID
CP0968267
Compound Name
Pyrazine-2-sulfonic acid quinolin-8-ylamide
    Show/Hide
Structure
Formula
C13H10N4O2S
Molecular Weight
286.316
Canonical SMILES
O=S(=O)(Nc1cccc2cccnc12)c1cnccn1
    Show/Hide
InChI
InChI=1S/C13H10N4O2S/c18-20(19,12-9-14-7-8-15-12)17-11-5-1-3-10-4-2-6-16-13(10)11/h1-9,17H
    Show/Hide
InChIKey
MPMQTFYFFXYYNS-UHFFFAOYSA-N
Physicochemical Property
logP
1.8256
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
84.84
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
20

"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: 60164191
SID: 144111809
ChEMBL ID
CHEMBL3902124
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: PT06104, Solute carrier family 40 member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000031 MDCK Canis lupus familiaris (Dog)  1
1
IC50 = 1910 nM
   TI
   LI
   LO
   TS