General Information of the Compound
Compound ID
CP0540766
Compound Name
6-(1H-indazol-6-yl)-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine
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Structure
Formula
C26H28N8O
Molecular Weight
468.565
Canonical SMILES
COCCN1CCN(CC1)c1ccc(Nc2nc(cn3ccnc23)-c2ccc3cn[nH]c3c2)cc1
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InChI
InChI=1S/C26H28N8O/c1-35-15-14-32-10-12-33(13-11-32)22-6-4-21(5-7-22)29-25-26-27-8-9-34(26)18-24(30-25)19-2-3-20-17-28-31-23(20)16-19/h2-9,16-18H,10-15H2,1H3,(H,28,31)(H,29,30)
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InChIKey
WHGFBFBVIGJCHA-UHFFFAOYSA-N
Physicochemical Property
logP
3.7846
Rotatable Bonds
7
Heavy Atom Count
35
Polar Areas
86.61
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
8
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: 156012031
ChEMBL ID
CHEMBL4638089
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 = 23 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.9 nM