General Information of the Compound
Compound ID
CP0572792
Compound Name
2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]-N-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
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Structure
Formula
C25H26N8O2
Molecular Weight
470.537
Canonical SMILES
C[C@@H](C1CC1)N1Cc2cc(cc(C)c2C1=O)-c1ccn2nc(N)c(C(=O)Nc3cnn(C)c3)c2n1
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InChI
InChI=1S/C25H26N8O2/c1-13-8-16(9-17-11-32(25(35)20(13)17)14(2)15-4-5-15)19-6-7-33-23(29-19)21(22(26)30-33)24(34)28-18-10-27-31(3)12-18/h6-10,12,14-15H,4-5,11H2,1-3H3,(H2,26,30)(H,28,34)/t14-/m0/s1
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InChIKey
GAKYZOUCTWDUOZ-AWEZNQCLSA-N
Physicochemical Property
logP
3.02702
Rotatable Bonds
5
Heavy Atom Count
35
Polar Areas
123.44
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
8
Complexity
35

"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: 155383816
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 = 127 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 3.4 nM