General Information of the Compound
Compound ID
CP0525626
Compound Name
N-[1-(5-chloro-2-methoxypyridin-4-yl)azetidin-3-yl]-2,3-dimethylimidazo[1,2-a]pyrazine-6-carboxamide
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Structure
Formula
C18H19ClN6O2
Molecular Weight
386.843
Canonical SMILES
COc1cc(N2CC(C2)NC(=O)c2cn3c(C)c(C)nc3cn2)c(Cl)cn1
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InChI
InChI=1S/C18H19ClN6O2/c1-10-11(2)25-9-14(20-6-16(25)22-10)18(26)23-12-7-24(8-12)15-4-17(27-3)21-5-13(15)19/h4-6,9,12H,7-8H2,1-3H3,(H,23,26)
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InChIKey
KJXQSWPECRUGIT-UHFFFAOYSA-N
Physicochemical Property
logP
2.02174
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
84.65
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
27

"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: 156014184
ChEMBL ID
CHEMBL4635170
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: PT01156, Muscarinic acetylcholine receptor M4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 430 nM
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