General Information of the Compound
Compound ID
CP0484609
Compound Name
7-bromo-4-chloropyrazino[1,2-a]benzimidazole
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Structure
Formula
C10H5BrClN3
Molecular Weight
282.528
Canonical SMILES
Clc1cncc2nc3ccc(Br)cc3n12
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InChI
InChI=1S/C10H5BrClN3/c11-6-1-2-7-8(3-6)15-9(12)4-13-5-10(15)14-7/h1-5H
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InChIKey
UAWTVJRTWPWHGR-UHFFFAOYSA-N
Physicochemical Property
logP
3.2984
Rotatable Bonds
0
Heavy Atom Count
15
Polar Areas
30.19
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
15

"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: 76317830
ChEMBL ID
CHEMBL3115499
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: PT01203, ALK tyrosine kinase receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000077 Ba/F3 Mus musculus (Mouse)  1
1
IC50 = 2200 nM
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   LI
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Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000077 Ba/F3 Mus musculus (Mouse)  1
1
IC50 = 2400 nM
   TI
   LI
   LO
   TS