General Information of the Compound
Compound ID
CP0548129
Compound Name
5-cyclopropyl-3-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine
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Structure
Formula
C15H15N9
Molecular Weight
321.348
Canonical SMILES
Cc1ccn2cc(Cn3nnc4c(N)nc(nc34)C3CC3)nc2n1
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InChI
InChI=1S/C15H15N9/c1-8-4-5-23-6-10(18-15(23)17-8)7-24-14-11(21-22-24)12(16)19-13(20-14)9-2-3-9/h4-6,9H,2-3,7H2,1H3,(H2,16,19,20)
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InChIKey
KXAHQWGAPXHFGG-UHFFFAOYSA-N
Physicochemical Property
logP
1.08032
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
112.7
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
9
Complexity
24

"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: 70697222
ChEMBL ID
CHEMBL2070928
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: PT02834, High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 458 nM
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