General Information of the Compound
Compound ID
CP0167778
Compound Name
6-(2-aminopyrimidin-5-yl)-8-morpholin-4-yl-N-(oxan-4-yl)imidazo[1,2-a]pyrazine-2-carboxamide
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Structure
Formula
C20H24N8O3
Molecular Weight
424.465
Canonical SMILES
Nc1ncc(cn1)-c1cn2cc(nc2c(n1)N1CCOCC1)C(=O)NC1CCOCC1
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InChI
InChI=1S/C20H24N8O3/c21-20-22-9-13(10-23-20)15-11-28-12-16(19(29)24-14-1-5-30-6-2-14)26-18(28)17(25-15)27-3-7-31-8-4-27/h9-12,14H,1-8H2,(H,24,29)(H2,21,22,23)
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InChIKey
BTFDKNWRSWJHKV-UHFFFAOYSA-N
Physicochemical Property
logP
0.5139
Rotatable Bonds
4
Heavy Atom Count
31
Polar Areas
132.79
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: 56966983
SID: 135687255
ChEMBL ID
CHEMBL2058170
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 = 34 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 13.1 nM