General Information of the Compound
Compound ID
CP0013554
Compound Name
3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)-N,N-dimethylimidazo[1,2-a]pyrazin-8-amine
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Formula
C18H16FN7
Molecular Weight
349.373
Canonical SMILES
CN(C)c1nccn2c(c(nc12)-c1ccc(F)cc1)-c1ccnc(N)n1
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InChI
InChI=1S/C18H16FN7/c1-25(2)16-17-24-14(11-3-5-12(19)6-4-11)15(26(17)10-9-21-16)13-7-8-22-18(20)23-13/h3-10H,1-2H3,(H2,20,22,23)
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InChIKey
JJUFPIADJDYDIT-UHFFFAOYSA-N
Physicochemical Property
logP
2.6406
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
85.23
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
26

"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
CHEMBL4870529
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 = 160 nM
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