General Information of the Compound
Compound ID
CP0564576
Compound Name
(7R)-2-morpholin-4-yl-7-propan-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
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Structure
Formula
C13H20N4O2
Molecular Weight
264.329
Canonical SMILES
CC(C)[C@@H]1CNC(=O)c2cc(nn12)N1CCOCC1
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InChI
InChI=1S/C13H20N4O2/c1-9(2)11-8-14-13(18)10-7-12(15-17(10)11)16-3-5-19-6-4-16/h7,9,11H,3-6,8H2,1-2H3,(H,14,18)/t11-/m0/s1
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InChIKey
BMTIXSYWLFRECZ-NSHDSACASA-N
Physicochemical Property
logP
0.6602
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
59.39
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 168273898
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: PT02680, Phosphatidylinositol 3-kinase catalytic subunit type 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 710 nM
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