General Information of the Compound
Compound ID
CP0940632
Compound Name
6-(1H-indazol-6-yl)-N-(4-(tetrahydro-1H-furo[3,4-c]pyrrol-5(3H)-yl)phenyl)imidazo[1,2-a]pyrazin-8-amine
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Structure
Formula
C25H23N7O
Molecular Weight
437.507
Canonical SMILES
c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CC5COCC5C4)cc3)c2n1
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InChI
InChI=1S/C25H23N7O/c1-2-17-10-27-30-22(17)9-16(1)23-13-31-8-7-26-25(31)24(29-23)28-20-3-5-21(6-4-20)32-11-18-14-33-15-19(18)12-32/h1-10,13,18-19H,11-12,14-15H2,(H,27,30)(H,28,29)
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InChIKey
HXAUKOJONYIXCH-UHFFFAOYSA-N
Physicochemical Property
logP
4.0988
Rotatable Bonds
4
Heavy Atom Count
33
Polar Areas
83.37
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
33

"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: 156011476
ChEMBL ID
CHEMBL4637020
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 = 187 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 9.6 nM