General Information of the Compound
Compound ID
CP0482324
Compound Name
2-[2-(2-chloro-4-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
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Structure
Formula
C19H13ClFN7
Molecular Weight
393.813
Canonical SMILES
Cc1cnc(C)c2nc(nn12)-c1ccn2cc(nc2n1)-c1ccc(F)cc1Cl
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InChI
InChI=1S/C19H13ClFN7/c1-10-8-22-11(2)18-25-17(26-28(10)18)15-5-6-27-9-16(24-19(27)23-15)13-4-3-12(21)7-14(13)20/h3-9H,1-2H3
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InChIKey
LYFPVLPPPACQOG-UHFFFAOYSA-N
Physicochemical Property
logP
3.91034
Rotatable Bonds
2
Heavy Atom Count
28
Polar Areas
73.27
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
Complexity
28

"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: 145950382
ChEMBL ID
CHEMBL4173524
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: PT01875, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 > 1000 nM
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