General Information of the Compound
Compound ID
CP0963396
Compound Name
N-(6-Ethoxy-quinolin-8-yl)-benzenesulfonamide
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Structure
Formula
C17H16N2O3S
Molecular Weight
328.393
Canonical SMILES
CCOc1cc(NS(=O)(=O)c2ccccc2)c2ncccc2c1
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InChI
InChI=1S/C17H16N2O3S/c1-2-22-14-11-13-7-6-10-18-17(13)16(12-14)19-23(20,21)15-8-4-3-5-9-15/h3-12,19H,2H2,1H3
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InChIKey
JROOGPFRGHTZSQ-UHFFFAOYSA-N
Physicochemical Property
logP
3.4343
Rotatable Bonds
5
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).

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PubChem ID
CID: 68183443
ChEMBL ID
CHEMBL3926321
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 = 100000 nM
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