General Information of the Compound
Compound ID
CP0861221
Compound Name
N-(7-Ethyl-quinolin-8-yl)-benzenesulfonamide
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Structure
Formula
C17H16N2O2S
Molecular Weight
312.394
Canonical SMILES
CCc1ccc2cccnc2c1NS(=O)(=O)c1ccccc1
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InChI
InChI=1S/C17H16N2O2S/c1-2-13-10-11-14-7-6-12-18-16(14)17(13)19-22(20,21)15-8-4-3-5-9-15/h3-12,19H,2H2,1H3
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InChIKey
PIWNJOUBHNTVPD-UHFFFAOYSA-N
Physicochemical Property
logP
3.598
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
59.06
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
22

"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: 68183379
ChEMBL ID
CHEMBL3926407
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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