General Information of the Compound
Compound ID
CP0052888
Compound Name
3-(imidazo[1,2-b]pyridazin-6-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine
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Structure
Formula
C15H12N10
Molecular Weight
332.331
Canonical SMILES
Cn1cc(cn1)-c1cnc2nnn(Cc3ccc4nccn4n3)c2n1
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InChI
InChI=1S/C15H12N10/c1-23-8-10(6-18-23)12-7-17-14-15(19-12)25(22-20-14)9-11-2-3-13-16-4-5-24(13)21-11/h2-8H,9H2,1H3
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InChIKey
UCCNXLVEXBEUPI-UHFFFAOYSA-N
Physicochemical Property
logP
0.7128
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
104.5
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
10
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: 68289353
ChEMBL ID
CHEMBL3334545
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: PT01201, Hepatocyte growth factor receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000450 NCI-H441 Homo sapiens (Human)  1
1
IC50 = 63 nM
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Biochemical Assays
1 IC50 = 24 nM
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000450 NCI-H441 Homo sapiens (Human)  1
1
IC50 = 443 nM
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