General Information of the Compound
Compound ID
CP0695454
Compound Name
N-(4-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)phenyl)-6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-amine
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Structure
Formula
C24H21N7O
Molecular Weight
423.48
Canonical SMILES
c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CC5CC(C4)O5)cc3)c2n1
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InChI
InChI=1S/C24H21N7O/c1-2-16-11-26-29-21(16)9-15(1)22-14-30-8-7-25-24(30)23(28-22)27-17-3-5-18(6-4-17)31-12-19-10-20(13-31)32-19/h1-9,11,14,19-20H,10,12-13H2,(H,26,29)(H,27,28)
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InChIKey
KMQVJTOSAYCWNC-UHFFFAOYSA-N
Physicochemical Property
logP
3.9937
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).

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PubChem ID
CID: 156010236
ChEMBL ID
CHEMBL4632513
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 = 68 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 61.6 nM