General Information of the Compound
Compound ID
CP0564791
Compound Name
6-chloro-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylimidazo[1,2-b]pyridazine
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Structure
Formula
C15H15ClN6O2S
Molecular Weight
378.845
Canonical SMILES
Clc1ccc2ncc(n2n1)S(=O)(=O)N1CCN(CC1)c1ccccn1
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InChI
InChI=1S/C15H15ClN6O2S/c16-12-4-5-14-18-11-15(22(14)19-12)25(23,24)21-9-7-20(8-10-21)13-3-1-2-6-17-13/h1-6,11H,7-10H2
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InChIKey
LOPMYVXKHFCIAP-UHFFFAOYSA-N
Physicochemical Property
logP
1.2886
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
83.7
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
Complexity
25

"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: 145964847
ChEMBL ID
CHEMBL4212813
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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   LI
   LO
   TS