General Information of the Compound
Compound ID
CP0416625
Compound Name
5-[4-(3-bromopyridin-2-yl)oxy-2-methylphenyl]-6-methylimidazo[1,2-a]pyrazine
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Structure
Formula
C19H15BrN4O
Molecular Weight
395.26
Canonical SMILES
Cc1cc(Oc2ncccc2Br)ccc1-c1c(C)ncc2nccn12
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InChI
InChI=1S/C19H15BrN4O/c1-12-10-14(25-19-16(20)4-3-7-22-19)5-6-15(12)18-13(2)23-11-17-21-8-9-24(17)18/h3-11H,1-2H3
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InChIKey
VBEPKACDKHSZBX-UHFFFAOYSA-N
Physicochemical Property
logP
4.96294
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
52.31
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
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: 146025717
ChEMBL ID
CHEMBL4522770
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: PT01195, D(1A) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
EC50 > 10000 nM
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