General Information of the Compound
Compound ID
CP0930471
Compound Name
N-(4-Diethylamino-quinolin-8-yl)-benzenesulfonamide
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Structure
Formula
C19H21N3O2S
Molecular Weight
355.463
Canonical SMILES
CCN(CC)c1ccnc2c(NS(=O)(=O)c3ccccc3)cccc12
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InChI
InChI=1S/C19H21N3O2S/c1-3-22(4-2)18-13-14-20-19-16(18)11-8-12-17(19)21-25(23,24)15-9-6-5-7-10-15/h5-14,21H,3-4H2,1-2H3
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InChIKey
LOMYWNJUVHLVNY-UHFFFAOYSA-N
Physicochemical Property
logP
3.8818
Rotatable Bonds
6
Heavy Atom Count
25
Polar Areas
62.3
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
25

"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: 68183484
ChEMBL ID
CHEMBL3917008
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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