General Information of the Compound
Compound ID
CP0419327
Compound Name
6-(1H-indazol-6-yl)-N-[4-(1,4-oxazepan-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine
    Show/Hide
Structure
Formula
C24H23N7O
Molecular Weight
425.496
Canonical SMILES
C1COCCN(C1)c1ccc(Nc2nc(cn3ccnc23)-c2ccc3cn[nH]c3c2)cc1
    Show/Hide
InChI
InChI=1S/C24H23N7O/c1-9-30(11-13-32-12-1)20-6-4-19(5-7-20)27-23-24-25-8-10-31(24)16-22(28-23)17-2-3-18-15-26-29-21(18)14-17/h2-8,10,14-16H,1,9,11-13H2,(H,26,29)(H,27,28)
    Show/Hide
InChIKey
MUBBHSMQBJBMMG-UHFFFAOYSA-N
Physicochemical Property
logP
4.2429
Rotatable Bonds
4
Heavy Atom Count
32
Polar Areas
83.37
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
32

"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: 59473555
ChEMBL ID
CHEMBL3265036
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: PT01441, Tyrosine-protein kinase SYK
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000003 Ramos Homo sapiens (Human)  1
1
EC50 = 73 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 23.1 nM