General Information of the Compound
Compound ID
CP0329992
Compound Name
6-(3H-imidazo[4,5-b]pyrazin-5-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine
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Structure
Formula
C24H24N10O
Molecular Weight
468.525
Canonical SMILES
C1OCC1N1CCN(CC1)c1ccc(Nc2nc(cn3ccnc23)-c2cnc3nc[nH]c3n2)cc1
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InChI
InChI=1S/C24H24N10O/c1-3-17(32-7-9-33(10-8-32)18-13-35-14-18)4-2-16(1)29-23-24-25-5-6-34(24)12-20(31-23)19-11-26-21-22(30-19)28-15-27-21/h1-6,11-12,15,18H,7-10,13-14H2,(H,29,31)(H,26,27,28,30)
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InChIKey
AQZVKSNGVJKVOL-UHFFFAOYSA-N
Physicochemical Property
logP
2.327
Rotatable Bonds
5
Heavy Atom Count
35
Polar Areas
112.39
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
10
Complexity
35

"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: 156018365
ChEMBL ID
CHEMBL4645149
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 = 192 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 11.5 nM