General Information of the Compound
Compound ID
CP0311126
Compound Name
N-quinolin-8-ylthiophene-2-sulfonamide
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Synonyms
AC1LH19W
AKOS001422726
BDBM50372518
CHEMBL257234
CU-00000000139-1
MCULE-3746564892
MolPort-003-066-216
N-(8-Quinolyl)-2-thiophenesulfonamide
N-(quinolin-8-yl)thiophene-2-sulfonamide
N-quinolin-8-ylthiophene-2-sulfonamide
NCGC00161717-01
Oprea1_700618
SCHEMBL7190921
SR-01000012975
SR-01000012975-1
Z115639124
ZINC353084
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Structure
Formula
C13H10N2O2S2
Molecular Weight
290.369
Canonical SMILES
O=S(=O)(Nc1cccc2cccnc12)c1cccs1
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InChI
InChI=1S/C13H10N2O2S2/c16-19(17,12-7-3-9-18-12)15-11-6-1-4-10-5-2-8-14-13(10)11/h1-9,15H
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InChIKey
CPSRVVXBTZFZPM-UHFFFAOYSA-N
Physicochemical Property
logP
3.0971
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
59.06
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
19

"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: 830459
SID: 16733801
ChEMBL ID
CHEMBL257234
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
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000106 OCI-Ly3 Homo sapiens (Human)  2
1
EC50 = 5300 nM
   TI
   LI
   LO
   TS
2
EC50 = 9000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( N-(quinolin-8-yl)thiophene-2-sulfonamide )
Drug Name N-(quinolin-8-yl)thiophene-2-sulfonamide