General Information of the Compound
Compound ID
CP0469588
Compound Name
6-chloroimidazo[1,2-b]pyridazine-3-sulfonamide
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Structure
Formula
C6H5ClN4O2S
Molecular Weight
232.652
Canonical SMILES
NS(=O)(=O)c1cnc2ccc(Cl)nn12
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InChI
InChI=1S/C6H5ClN4O2S/c7-4-1-2-5-9-3-6(11(5)10-4)14(8,12)13/h1-3H,(H2,8,12,13)
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InChIKey
SVENDMYZYYEFOT-UHFFFAOYSA-N
Physicochemical Property
logP
0.0301
Rotatable Bonds
1
Heavy Atom Count
14
Polar Areas
90.35
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
14

"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: 14422379
ChEMBL ID
CHEMBL4206575
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: PT02347, Tumor necrosis factor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000752 PBMC iPSC #1 Homo sapiens (Human)  1
1
IC50 = 28000 nM
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