General Information of the Compound
Compound ID
CP0169553
Compound Name
6-(2-aminopyrimidin-5-yl)-N-[3-(dimethylamino)propyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide
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Structure
Formula
C20H27N9O2
Molecular Weight
425.497
Canonical SMILES
CN(C)CCCNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cnc(N)nc1
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InChI
InChI=1S/C20H27N9O2/c1-27(2)5-3-4-22-19(30)16-13-29-12-15(14-10-23-20(21)24-11-14)25-17(18(29)26-16)28-6-8-31-9-7-28/h10-13H,3-9H2,1-2H3,(H,22,30)(H2,21,23,24)
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InChIKey
SFSPGHQPOKAPPP-UHFFFAOYSA-N
Physicochemical Property
logP
0.2866
Rotatable Bonds
7
Heavy Atom Count
31
Polar Areas
126.8
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
10
Complexity
31

"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: 70694721
ChEMBL ID
CHEMBL2058165
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 = 8.7 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.6 nM