General Information of the Compound
Compound ID
CP0969311
Compound Name
N-[2-(Quinolin-8-ylsulfamoyl)-phenyl]-acetamide
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Structure
Formula
C17H15N3O3S
Molecular Weight
341.392
Canonical SMILES
CC(=O)Nc1ccccc1S(=O)(=O)Nc1cccc2cccnc12
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InChI
InChI=1S/C17H15N3O3S/c1-12(21)19-14-8-2-3-10-16(14)24(22,23)20-15-9-4-6-13-7-5-11-18-17(13)15/h2-11,20H,1H3,(H,19,21)
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InChIKey
RYQCTUPUGHTNBY-UHFFFAOYSA-N
Physicochemical Property
logP
2.994
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
88.16
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
24

"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: 68183197
ChEMBL ID
CHEMBL3957827
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 = 1370 nM
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