General Information of the Compound
Compound ID
CP0952645
Compound Name
N-(4-Dimethylamino-quinolin-8-yl)-benzenesulfonamide
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Structure
Formula
C17H17N3O2S
Molecular Weight
327.409
Canonical SMILES
CN(C)c1ccnc2c(NS(=O)(=O)c3ccccc3)cccc12
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InChI
InChI=1S/C17H17N3O2S/c1-20(2)16-11-12-18-17-14(16)9-6-10-15(17)19-23(21,22)13-7-4-3-5-8-13/h3-12,19H,1-2H3
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InChIKey
PEISAJHXWAQMCN-UHFFFAOYSA-N
Physicochemical Property
logP
3.1016
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
62.3
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).

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PubChem ID
CID: 68183396
ChEMBL ID
CHEMBL3907733
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
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