General Information of the Compound
Compound ID
CP0104018
Compound Name
N-(2,6-dimethylphenyl)-5-[4-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,5-a]pyrazin-8-amine
    Show/Hide
Structure
Formula
C26H29N5O2
Molecular Weight
443.551
Canonical SMILES
Cc1cccc(C)c1Nc1ncc(-c2ccc(OCCN3CCOCC3)cc2)n2cncc12
    Show/Hide
InChI
InChI=1S/C26H29N5O2/c1-19-4-3-5-20(2)25(19)29-26-24-16-27-18-31(24)23(17-28-26)21-6-8-22(9-7-21)33-15-12-30-10-13-32-14-11-30/h3-9,16-18H,10-15H2,1-2H3,(H,28,29)
    Show/Hide
InChIKey
RCDKTEIYEZIQCO-UHFFFAOYSA-N
Physicochemical Property
logP
4.46774
Rotatable Bonds
7
Heavy Atom Count
33
Polar Areas
63.92
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
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: 44422570
ChEMBL ID
CHEMBL227836
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: PT00879, Proto-oncogene tyrosine-protein kinase Src
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
IC50 = 700 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 37 nM