General Information of the Compound
Compound ID
CP0287021
Compound Name
5-chloro-N-(2-methylquinolin-8-yl)thiophene-2-sulfonamide
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Structure
Formula
C14H11ClN2O2S2
Molecular Weight
338.841
Canonical SMILES
Cc1ccc2cccc(NS(=O)(=O)c3ccc(Cl)s3)c2n1
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InChI
InChI=1S/C14H11ClN2O2S2/c1-9-5-6-10-3-2-4-11(14(10)16-9)17-21(18,19)13-8-7-12(15)20-13/h2-8,17H,1H3
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InChIKey
HVGRDFGKUZFICE-UHFFFAOYSA-N
Physicochemical Property
logP
4.05892
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
59.06
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
21

"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: 16759949
ChEMBL ID
CHEMBL256403
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 = 1400 nM
   TI
   LI
   LO
   TS
2
EC50 = 2100 nM
   TI
   LI
   LO
   TS