General Information of the Compound
Compound ID
CP0310316
Compound Name
3-cyclobutyl-1-(quinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
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Structure
Formula
C19H17N5
Molecular Weight
315.38
Canonical SMILES
Nc1nccn2c(nc(-c3ccc4cccnc4c3)c12)C1CCC1
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InChI
InChI=1S/C19H17N5/c20-18-17-16(14-7-6-12-5-2-8-21-15(12)11-14)23-19(13-3-1-4-13)24(17)10-9-22-18/h2,5-11,13H,1,3-4H2,(H2,20,22)
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InChIKey
DCZVPGJUGDGWON-UHFFFAOYSA-N
Physicochemical Property
logP
3.7942
Rotatable Bonds
2
Heavy Atom Count
24
Polar Areas
69.1
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
24

"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: 44451337
ChEMBL ID
CHEMBL261803
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 > 10000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 > 10000 nM