General Information of the Compound
Compound ID
CP0580148
Compound Name
(R)-7'-cyclopropyl-2'-((R)-3-methylmorpholino)-7'H-spiro[cyclopropane-1,6'-pyrazolo[1,5-a]pyrazin]-4'(5'H)-one
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Structure
Formula
C16H22N4O2
Molecular Weight
302.378
Canonical SMILES
C[C@@H]1COCCN1c1cc2C(=O)NC3(CC3)[C@@H](C3CC3)n2n1
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InChI
InChI=1S/C16H22N4O2/c1-10-9-22-7-6-19(10)13-8-12-15(21)17-16(4-5-16)14(11-2-3-11)20(12)18-13/h8,10-11,14H,2-7,9H2,1H3,(H,17,21)/t10-,14-/m1/s1
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InChIKey
FBNDYMTZTMTFOX-QMTHXVAHSA-N
Physicochemical Property
logP
1.3353
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: 163276635
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 = 84 nM
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