General Information of the Compound
Compound ID
CP0570055
Compound Name
6-(1H-indazol-6-yl)-N-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine
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Structure
Formula
C24H21N7O
Molecular Weight
423.48
Canonical SMILES
C1OCC11CN(C1)c1ccc(Nc2nc(cn3ccnc23)-c2ccc3cn[nH]c3c2)cc1
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InChI
InChI=1S/C24H21N7O/c1-2-17-10-26-29-20(17)9-16(1)21-11-30-8-7-25-23(30)22(28-21)27-18-3-5-19(6-4-18)31-12-24(13-31)14-32-15-24/h1-11H,12-15H2,(H,26,29)(H,27,28)
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InChIKey
IUESGRQIZDYJES-UHFFFAOYSA-N
Physicochemical Property
logP
3.8528
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: 46234930
SID: 96095519
ChEMBL ID
CHEMBL4633338
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 = 63 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 5 nM