General Information of the Compound
Compound ID
CP0577155
Compound Name
2-amino-N-cyclopropyl-5-(2-ethyl-7-methyl-1-oxo-3H-isoindol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
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Structure
Formula
C21H22N6O2
Molecular Weight
390.447
Canonical SMILES
CCN1Cc2cc(cc(C)c2C1=O)-c1ccn2nc(N)c(C(=O)NC3CC3)c2n1
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InChI
InChI=1S/C21H22N6O2/c1-3-26-10-13-9-12(8-11(2)16(13)21(26)29)15-6-7-27-19(24-15)17(18(22)25-27)20(28)23-14-4-5-14/h6-9,14H,3-5,10H2,1-2H3,(H2,22,25)(H,23,28)
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InChIKey
DGGZIRYFUXUEIQ-UHFFFAOYSA-N
Physicochemical Property
logP
2.15482
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
105.62
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
29

"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: 168273903
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: PT01029, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000040 THP-1 Homo sapiens (Human)  1
1
IC50 = 338 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 5.6 nM