General Information of the Compound
Compound ID
CP0503441
Compound Name
imidazo[1,2-a]pyrazin-2-yl-(4-methylpiperazin-1-yl)methanone
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Structure
Formula
C12H15N5O
Molecular Weight
245.286
Canonical SMILES
CN1CCN(CC1)C(=O)c1cn2ccncc2n1
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InChI
InChI=1S/C12H15N5O/c1-15-4-6-16(7-5-15)12(18)10-9-17-3-2-13-8-11(17)14-10/h2-3,8-9H,4-7H2,1H3
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InChIKey
DSJVFHQHWWBQAX-UHFFFAOYSA-N
Physicochemical Property
logP
0.1169
Rotatable Bonds
1
Heavy Atom Count
18
Polar Areas
53.74
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
18

"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: 57397738
ChEMBL ID
CHEMBL1938841
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: PT01711, Histamine H4 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki > 20000 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 20100 nM
   TI
   LI
   LO
   TS