General Information of the Compound
Compound ID
CP0965358
Compound Name
N-(4-((2S,6R)-2,6-dimethylmorpholino)phenyl)-6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-amine
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Structure
Formula
C25H25N7O
Molecular Weight
439.523
Canonical SMILES
C[C@@H]1CN(c2ccc(Nc3nc(-c4ccc5cn[nH]c5c4)cn4ccnc34)cc2)C[C@H](C)O1
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InChI
InChI=1S/C25H25N7O/c1-16-13-32(14-17(2)33-16)21-7-5-20(6-8-21)28-24-25-26-9-10-31(25)15-23(29-24)18-3-4-19-12-27-30-22(19)11-18/h3-12,15-17H,13-14H2,1-2H3,(H,27,30)(H,28,29)/t16-,17+
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InChIKey
BYAVZVVEXOQOAV-CALCHBBNSA-N
Physicochemical Property
logP
4.6298
Rotatable Bonds
4
Heavy Atom Count
33
Polar Areas
83.37
Hydrogen Bond Donor Count
2
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).

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PubChem ID
CID: 59473079
ChEMBL ID
CHEMBL4642016
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 = 45 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 4.9 nM