General Information of the Compound
Compound ID
CP0519781
Compound Name
6-chloro-N-(oxolan-2-ylmethyl)imidazo[1,2-b]pyridazine-3-sulfonamide
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Structure
Formula
C11H13ClN4O3S
Molecular Weight
316.77
Canonical SMILES
Clc1ccc2ncc(n2n1)S(=O)(=O)NCC1CCCO1
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InChI
InChI=1S/C11H13ClN4O3S/c12-9-3-4-10-13-7-11(16(10)15-9)20(17,18)14-6-8-2-1-5-19-8/h3-4,7-8,14H,1-2,5-6H2
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InChIKey
CXJDCLLZXBWHEI-UHFFFAOYSA-N
Physicochemical Property
logP
0.84
Rotatable Bonds
4
Heavy Atom Count
20
Polar Areas
85.59
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
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: 145966246
ChEMBL ID
CHEMBL4212933
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 = 30000 nM
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