tubacin

Ligand id: 7374

Name: tubacin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 18
Topological polar surface area 168.45
Molecular weight 721.28
XLogP 10.14
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[4-[(2R,4R,6S)-4-[[4,5-di(phenyl)-1,3-oxazol-2-yl]sulfanylmethyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]-N'-hydroxyoctanediamide
Synonyms
AC1O7Y2P
Database Links
CAS Registry No. 537049-40-4 (source: SciFinder)
ChEMBL Ligand CHEMBL356769
PubChem CID 6675804
Search Google for chemical match using the InChIKey BHUZLJOUHMBZQY-YXQOSMAKSA-N
Search Google for chemicals with the same backbone BHUZLJOUHMBZQY
Search UniChem for chemical match using the InChIKey BHUZLJOUHMBZQY-YXQOSMAKSA-N
Search UniChem for chemicals with the same backbone BHUZLJOUHMBZQY
Comments
Tubacin is a small-molecule inhibitor of HDAC6 [1].