Compound Synopsis
Compound Overview
Bioactivity Data Summary
Protein Affinity Profile
Cellline Sensitivity Profile

389890 - Overview - Compound Synopsis

Synonyms
2-Acetoxy-Benzoic Acid3-Isobutyl-Methylxanthine
IBMISOBUTYLMETHYLXANTHINE
Molecular Formula
C10H14N4O2
InChI
InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
Smiles
CC(C)Cn1c(=O)n(C)c(=O)c2nc[nH]c21
Cross References
UniChem481377
canSAR389890
PDBe (Protein Data Bank Europe)IBM
ChEMBLCHEMBL275084
BindingDB15336
BindingDB50027176
Commercially Available
Yes


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 222.1116756880.07931630No


Compounds with the same scaffold


Image of compound ID: 389890
Murko Scaffold Family: 93 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12