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
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.
Database Links
GtoPdb PubChem SID 178100861
PubChem CID 73755070
Search Google for chemical match using the InChIKey AMSDRHOIAWZBTJ-PBQYMGKRSA-N
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Search UniChem for chemical match using the InChIKey AMSDRHOIAWZBTJ-PBQYMGKRSA-N
Search UniChem for chemicals with the same backbone AMSDRHOIAWZBTJ