General Information of the Compound
Compound ID
CP0005820
Compound Name
2-(4-fluorophenyl)-N,N-dimethyl-3-pyrimidin-5-ylimidazo[1,2-a]pyrazin-8-amine
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Formula
C18H15FN6
Molecular Weight
334.358
Canonical SMILES
CN(C)c1nccn2c(c(nc12)-c1ccc(F)cc1)-c1cncnc1
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InChI
InChI=1S/C18H15FN6/c1-24(2)17-18-23-15(12-3-5-14(19)6-4-12)16(25(18)8-7-22-17)13-9-20-11-21-10-13/h3-11H,1-2H3
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InChIKey
OOFPPUBMQAMSBU-UHFFFAOYSA-N
Physicochemical Property
logP
3.0584
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
59.21
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
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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ChEMBL ID
CHEMBL4848621
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: PT01551, Casein kinase I isoform epsilon
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000014 RAW 264.7 Mus musculus (Mouse)  1
1
CC50 = 39120 nM
   TI
   LI
   LO
   TS