General Information of the Compound
Compound ID
CP0350954
Compound Name
N-[6-(6-amino-5-methoxypyridin-3-yl)imidazo[1,2-b]pyridazin-2-yl]acetamide
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Structure
Formula
C14H14N6O2
Molecular Weight
298.306
Canonical SMILES
COc1cc(cnc1N)-c1ccc2nc(NC(C)=O)cn2n1
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InChI
InChI=1S/C14H14N6O2/c1-8(21)17-12-7-20-13(18-12)4-3-10(19-20)9-5-11(22-2)14(15)16-6-9/h3-7H,1-2H3,(H2,15,16)(H,17,21)
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InChIKey
WTWIADNYCPUYIR-UHFFFAOYSA-N
Physicochemical Property
logP
1.3405
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
107.43
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
22

"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: 59251922
ChEMBL ID
CHEMBL3752760
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: PT01045, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000072 A2780 Homo sapiens (Human)  1
1
EC50 = 110 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 5 nM