General Information of the Compound
Compound ID
CP0515380
Compound Name
N,N,5-trimethyl-3-[[(2R)-oxolan-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine
    Show/Hide
Structure
Formula
C12H18N6O
Molecular Weight
262.317
Canonical SMILES
CN(C)c1nc(C)nc2n(C[C@H]3CCCO3)nnc12
    Show/Hide
InChI
InChI=1S/C12H18N6O/c1-8-13-11(17(2)3)10-12(14-8)18(16-15-10)7-9-5-4-6-19-9/h9H,4-7H2,1-3H3/t9-/m1/s1
    Show/Hide
InChIKey
MZCKJSITRBWLLX-SECBINFHSA-N
Physicochemical Property
logP
0.77472
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
68.96
Hydrogen Bond Donor Count
0
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 70697197
ChEMBL ID
CHEMBL2070740
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 > 10000 nM
   TI
   LI
   LO
   TS