General Information of the Compound
Compound ID
CP0102947
Compound Name
5-bromo-N-quinolin-8-ylthiophene-2-sulfonamide
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Synonyms
2-Thiophenesulfonamide, 5-bromo-N-8-quinolinyl-
5-bromo-N-(quinolin-8-yl)thiophene-2-sulfonamide
5-bromo-N-quinolin-8-ylthiophene-2-sulfonamide
620103-87-9
AC1M3N93
AKOS001440266
ALBB-010070
BBL018066
BDBM50372503
CHEMBL401504
CTK5I7875
MCULE-3903306629
MolPort-000-693-109
NCGC00161700-01
R9130
SCHEMBL11995751
STK506180
TR-039409
TR-061560
ZINC2888883
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Structure
Formula
C13H9BrN2O2S2
Molecular Weight
369.265
Canonical SMILES
Brc1ccc(s1)S(=O)(=O)Nc1cccc2cccnc12
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InChI
InChI=1S/C13H9BrN2O2S2/c14-11-6-7-12(19-11)20(17,18)16-10-5-1-3-9-4-2-8-15-13(9)10/h1-8,16H
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InChIKey
BWZPDZRPJIBWAU-UHFFFAOYSA-N
Physicochemical Property
logP
3.8596
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
59.06
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
20

"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: 2240993
ChEMBL ID
CHEMBL401504
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: PT05222, NF-kappa-B inhibitor alpha
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000106 OCI-Ly3
 Cell Line Info 
Homo sapiens (Human)  2
1
EC50 = 5900 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
EC50 = 6800 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT06104, Solute carrier family 40 member 1
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000031 MDCK
 Cell Line Info 
Canis lupus familiaris (Dog)  1
1
IC50 = 6800 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 5-bromo-N-(quinolin-8-yl)thiophene-2-sulfonamide )
Drug Name 5-bromo-N-(quinolin-8-yl)thiophene-2-sulfonamide