General Information of the Compound
Compound ID
CP0909204
Compound Name
N-[4-(2-Dimethylamino-ethylamino)-quinolin-8-yl]-benzenesulfonamide
    Show/Hide
Structure
Formula
C19H22N4O2S
Molecular Weight
370.478
Canonical SMILES
CN(C)CCNc1ccnc2c(NS(=O)(=O)c3ccccc3)cccc12
    Show/Hide
InChI
InChI=1S/C19H22N4O2S/c1-23(2)14-13-20-17-11-12-21-19-16(17)9-6-10-18(19)22-26(24,25)15-7-4-3-5-8-15/h3-12,22H,13-14H2,1-2H3,(H,20,21)
    Show/Hide
InChIKey
VPRHNMIIUQGIFU-UHFFFAOYSA-N
Physicochemical Property
logP
3.0091
Rotatable Bonds
7
Heavy Atom Count
26
Polar Areas
74.33
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
26

"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: 68183363
ChEMBL ID
CHEMBL3897782
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 = 25000 nM
   TI
   LI
   LO
   TS