General Information of the Compound
Compound ID
CP0261681
Compound Name
1-(3-(2-fluorobenzyloxy)phenyl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
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Structure
Formula
C23H21FN4O
Molecular Weight
388.446
Canonical SMILES
Nc1nccn2c(nc(-c3cccc(OCc4ccccc4F)c3)c12)C1CCC1
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InChI
InChI=1S/C23H21FN4O/c24-19-10-2-1-5-17(19)14-29-18-9-4-8-16(13-18)20-21-22(25)26-11-12-28(21)23(27-20)15-6-3-7-15/h1-2,4-5,8-13,15H,3,6-7,14H2,(H2,25,26)
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InChIKey
RWFCICUMOBGFIY-UHFFFAOYSA-N
Physicochemical Property
logP
4.9641
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
65.44
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
29

"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: 44438860
ChEMBL ID
CHEMBL248092
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: PT01104, Insulin-like growth factor 1 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000035 NIH 3T3 Mus musculus (Mouse)  1
1
IC50 = 2060 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 224 nM