MA-2029

Ligand id: 4036

Name: MA-2029

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 16
Topological polar surface area 110.77
Molecular weight 592.32
XLogP 5.86
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S)-N-[(2S)-3-(3-tert-butyl-4-hydroxyphenyl)-1-(ethylamino)-1-oxopropan-2-yl]-2-[[(2S)-3-(4-fluorophenyl)-2-(methylamino)propanoyl]-methylamino]-3-methylbutanamide;hydrochloride
Synonyms
MA2029
Database Links
PubChem CID 73755070
Search Google for chemical match using the InChIKey AMSDRHOIAWZBTJ-PBQYMGKRSA-N
Search Google for chemicals with the same backbone AMSDRHOIAWZBTJ
Search UniChem for chemical match using the InChIKey AMSDRHOIAWZBTJ-PBQYMGKRSA-N
Search UniChem for chemicals with the same backbone AMSDRHOIAWZBTJ
Comments
Reference [1] specifies that the hydrochloride form of this compound was used in the experiments from which our data is derived; however, please note that this compound is also available for purchase experimentally as the 'parent' compound without HCl.