General Information of the Compound
Compound ID
CP0167773
Compound Name
6-(2-aminopyrimidin-5-yl)-8-morpholin-4-yl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyrazine-2-carboxamide
    Show/Hide
Structure
Formula
C21H27N9O3
Molecular Weight
453.507
Canonical SMILES
Nc1ncc(cn1)-c1cn2cc(nc2c(n1)N1CCOCC1)C(=O)NCCN1CCOCC1
    Show/Hide
InChI
InChI=1S/C21H27N9O3/c22-21-24-11-15(12-25-21)16-13-30-14-17(20(31)23-1-2-28-3-7-32-8-4-28)27-19(30)18(26-16)29-5-9-33-10-6-29/h11-14H,1-10H2,(H,23,31)(H2,22,24,25)
    Show/Hide
InChIKey
YRCSAIYINRCQAV-UHFFFAOYSA-N
Physicochemical Property
logP
-0.3329
Rotatable Bonds
6
Heavy Atom Count
33
Polar Areas
136.03
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
11
Complexity
33

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 70688479
ChEMBL ID
CHEMBL2058169
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 = 34.3 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 10.4 nM