General Information of the Compound
Compound ID
CP0969312
Compound Name
N-(5,7-Dichloro-quinolin-8-yl)-4-methyl-benzenesulfonamide
    Show/Hide
Structure
Formula
C16H12Cl2N2O2S
Molecular Weight
367.257
Canonical SMILES
Cc1ccc(S(=O)(=O)Nc2c(Cl)cc(Cl)c3cccnc23)cc1
    Show/Hide
InChI
InChI=1S/C16H12Cl2N2O2S/c1-10-4-6-11(7-5-10)23(21,22)20-16-14(18)9-13(17)12-3-2-8-19-15(12)16/h2-9,20H,1H3
    Show/Hide
InChIKey
UAQOINWXYOCOGS-UHFFFAOYSA-N
Physicochemical Property
logP
4.65082
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
59.06
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 1070163
SID: 144111560
ChEMBL ID
CHEMBL3936153
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 = 79000 nM
   TI
   LI
   LO
   TS