General Information of the Compound
Compound ID
CP0577004
Compound Name
N-[4-[(7R)-7-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl]pyridin-2-yl]cyclopropanecarboxamide
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Structure
Formula
C16H17N5O2
Molecular Weight
311.345
Canonical SMILES
C[C@@H]1CNC(=O)c2cc(nn12)-c1ccnc(NC(=O)C2CC2)c1
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InChI
InChI=1S/C16H17N5O2/c1-9-8-18-16(23)13-7-12(20-21(9)13)11-4-5-17-14(6-11)19-15(22)10-2-3-10/h4-7,9-10H,2-3,8H2,1H3,(H,18,23)(H,17,19,22)/t9-/m1/s1
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InChIKey
ZYHIVRBEMVQKRA-SECBINFHSA-N
Physicochemical Property
logP
1.598
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
88.91
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
23

"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: 168286255
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 = 130 nM
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