General Information of the Compound
Compound ID
CP0093069
Compound Name
6-(1H-indazol-6-yl)-N-[4-(oxan-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine
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Structure
Formula
C24H22N6O
Molecular Weight
410.481
Canonical SMILES
C1CC(CCO1)c1ccc(Nc2nc(cn3ccnc23)-c2ccc3cn[nH]c3c2)cc1
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InChI
InChI=1S/C24H22N6O/c1-2-19-14-26-29-21(19)13-18(1)22-15-30-10-9-25-24(30)23(28-22)27-20-5-3-16(4-6-20)17-7-11-31-12-8-17/h1-6,9-10,13-15,17H,7-8,11-12H2,(H,26,29)(H,27,28)
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InChIKey
WZPXYZKKCFFWMJ-UHFFFAOYSA-N
Physicochemical Property
logP
4.9102
Rotatable Bonds
4
Heavy Atom Count
31
Polar Areas
80.13
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
31

"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: 46234933
SID: 96095522
ChEMBL ID
CHEMBL3265034
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 = 2366 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 3.8 nM