General Information of the Compound
Compound ID
CP0342414
Compound Name
6-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine
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Structure
Formula
C26H28N8O2
Molecular Weight
484.564
Canonical SMILES
C1OCC1N1CCN(CC1)c1ccc(Nc2nc(cn3ccnc23)-c2ccc3OCCNc3n2)cc1
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InChI
InChI=1S/C26H28N8O2/c1-3-19(32-10-12-33(13-11-32)20-16-35-17-20)4-2-18(1)29-25-26-28-7-9-34(26)15-22(31-25)21-5-6-23-24(30-21)27-8-14-36-23/h1-7,9,15,20H,8,10-14,16-17H2,(H,27,30)(H,29,31)
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InChIKey
MRFQCDAPJIZXOH-UHFFFAOYSA-N
Physicochemical Property
logP
2.86
Rotatable Bonds
5
Heavy Atom Count
36
Polar Areas
92.08
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
10
Complexity
36

"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: 156014942
ChEMBL ID
CHEMBL4640486
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 = 107 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 44.1 nM