General Information of the Compound
Compound ID
CP0028794
Compound Name
1-[4-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-1-yl]-2-(dimethylamino)ethanone
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Structure
Formula
C23H32N10O2
Molecular Weight
480.577
Canonical SMILES
CN(C)CC(=O)N1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CC1
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InChI
InChI=1S/C23H32N10O2/c1-29(2)16-20(34)31-5-3-30(4-6-31)13-18-14-33-15-19(17-11-25-23(24)26-12-17)28-22(21(33)27-18)32-7-9-35-10-8-32/h11-12,14-15H,3-10,13,16H2,1-2H3,(H2,24,25,26)
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InChIKey
NJFPAGGSHFZGCM-UHFFFAOYSA-N
Physicochemical Property
logP
-0.1891
Rotatable Bonds
6
Heavy Atom Count
35
Polar Areas
121.25
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
11
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: 70689026
ChEMBL ID
CHEMBL2087488
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: PT01045, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  1
1
IC50 = 480 nM
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