General Information of the Compound
Compound ID
CP0823071
Compound Name
(R)-N-(4-(2-((dimethylamino)methyl)morpholino)phenyl)-6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-amine
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Structure
Formula
C26H28N8O
Molecular Weight
468.565
Canonical SMILES
CN(C)C[C@@H]1CN(c2ccc(Nc3nc(-c4ccc5cn[nH]c5c4)cn4ccnc34)cc2)CCO1
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InChI
InChI=1S/C26H28N8O/c1-32(2)15-22-16-33(11-12-35-22)21-7-5-20(6-8-21)29-25-26-27-9-10-34(26)17-24(30-25)18-3-4-19-14-28-31-23(19)13-18/h3-10,13-14,17,22H,11-12,15-16H2,1-2H3,(H,28,31)(H,29,30)/t22-/m1/s1
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InChIKey
IWYBMVPPYXLVRT-JOCHJYFZSA-N
Physicochemical Property
logP
3.783
Rotatable Bonds
6
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: 156011601
ChEMBL ID
CHEMBL4637943
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 = 109 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.9 nM