General Information of the Compound
Compound ID
CP0127634
Compound Name
6-(1H-indazol-6-yl)-N-[4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine
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Structure
Formula
C26H25N7O
Molecular Weight
451.534
Canonical SMILES
C1N(CC11CCOCC1)c1ccc(Nc2nc(cn3ccnc23)-c2ccc3cn[nH]c3c2)cc1
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InChI
InChI=1S/C26H25N7O/c1-2-19-14-28-31-22(19)13-18(1)23-15-32-10-9-27-25(32)24(30-23)29-20-3-5-21(6-4-20)33-16-26(17-33)7-11-34-12-8-26/h1-6,9-10,13-15H,7-8,11-12,16-17H2,(H,28,31)(H,29,30)
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InChIKey
QWDPLTNITSUDPA-UHFFFAOYSA-N
Physicochemical Property
logP
4.633
Rotatable Bonds
4
Heavy Atom Count
34
Polar Areas
83.37
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
34

"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: 59473417
ChEMBL ID
CHEMBL4643774
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 = 82 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 9 nM