General Information of the Compound
Compound ID
CP0550418
Compound Name
(S)-7-(2-hydroxypropan-2-yl)-2-((R)-3-methylmorpholino)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one
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Structure
Formula
C14H22N4O3
Molecular Weight
294.355
Canonical SMILES
C[C@@H]1COCCN1c1cc2C(=O)NC[C@H](n2n1)C(C)(C)O
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InChI
InChI=1S/C14H22N4O3/c1-9-8-21-5-4-17(9)12-6-10-13(19)15-7-11(14(2,3)20)18(10)16-12/h6,9,11,20H,4-5,7-8H2,1-3H3,(H,15,19)/t9-,11+/m1/s1
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InChIKey
PXOYLUIUXHDFDO-KOLCDFICSA-N
Physicochemical Property
logP
0.1636
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
79.62
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
21

"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: 163276666
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 = 170 nM
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