General Information of the Compound
Compound ID
CP0013553
Compound Name
N,N-dimethyl-3-(2-methylsulfanylpyrimidin-4-yl)-2-phenylimidazo[1,2-a]pyrazin-8-amine
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Formula
C19H18N6S
Molecular Weight
362.462
Canonical SMILES
CSc1nccc(n1)-c1c(nc2c(nccn12)N(C)C)-c1ccccc1
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InChI
InChI=1S/C19H18N6S/c1-24(2)17-18-23-15(13-7-5-4-6-8-13)16(25(18)12-11-20-17)14-9-10-21-19(22-14)26-3/h4-12H,1-3H3
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InChIKey
UQBCQWAPUAUXQU-UHFFFAOYSA-N
Physicochemical Property
logP
3.6412
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
59.21
Hydrogen Bond Donor Count
0
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
CHEMBL4872681
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 > 10000 nM
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