General Information of the Compound
Compound ID
CP0543610
Compound Name
(R)-2-((R)-3-methylmorpholino)-6-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one
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Structure
Formula
C12H15F3N4O2
Molecular Weight
304.272
Canonical SMILES
C[C@@H]1COCCN1c1cc2C(=O)N[C@H](Cn2n1)C(F)(F)F
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InChI
InChI=1S/C12H15F3N4O2/c1-7-6-21-3-2-18(7)10-4-8-11(20)16-9(12(13,14)15)5-19(8)17-10/h4,7,9H,2-3,5-6H2,1H3,(H,16,20)/t7-,9-/m1/s1
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InChIKey
RLHZFEATLNKZSI-VXNVDRBHSA-N
Physicochemical Property
logP
0.7825
Rotatable Bonds
1
Heavy Atom Count
21
Polar Areas
59.39
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 163276686
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 = 37 nM
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