General Information of the Compound
Compound ID
CP0566117
Compound Name
5-cyclopropyl-3-[[(2R)-oxolan-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine
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Structure
Formula
C12H16N6O
Molecular Weight
260.301
Canonical SMILES
Nc1nc(nc2n(C[C@H]3CCCO3)nnc12)C1CC1
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InChI
InChI=1S/C12H16N6O/c13-10-9-12(15-11(14-10)7-3-4-7)18(17-16-9)6-8-2-1-5-19-8/h7-8H,1-6H2,(H2,13,14,15)/t8-/m1/s1
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InChIKey
ORCRTACJUZWWSJ-MRVPVSSYSA-N
Physicochemical Property
logP
0.8599
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
91.74
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
19

"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: 70695148
SID: 163451627
ChEMBL ID
CHEMBL2070600
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 = 25 nM
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