General Information of the Compound
Compound ID
CP0578672
Compound Name
(R)-7-cyclopentyl-2-((R)-3-methylmorpholino)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one
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Structure
Formula
C16H24N4O2
Molecular Weight
304.394
Canonical SMILES
C[C@@H]1COCCN1c1cc2C(=O)NC[C@@H](C3CCCC3)n2n1
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InChI
InChI=1S/C16H24N4O2/c1-11-10-22-7-6-19(11)15-8-13-16(21)17-9-14(20(13)18-15)12-4-2-3-5-12/h8,11-12,14H,2-7,9-10H2,1H3,(H,17,21)/t11-,14+/m1/s1
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InChIKey
CGVVAIWKHCWYGF-RISCZKNCSA-N
Physicochemical Property
logP
1.5829
Rotatable Bonds
2
Heavy Atom Count
22
Polar Areas
59.39
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
22

"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: 163276709
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 = 350 nM
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