VU0463597

Ligand id: 6225

Name: VU0463597

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 49.77
Molecular weight 349.17
XLogP 5.02
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[(3R)-1-({4-[2-(4-methoxyphenyl)ethynyl]phenyl}carbonyl)piperidin-3-yl]methanol
Synonyms
(R)-VU0463597 | ML289
Database Links
CAS Registry No. 1382481-79-9 (source: Scifinder)
ChEMBL Ligand CHEMBL2204445
PubChem CID 56587994
Search Google for chemical match using the InChIKey VSLWUPHHCFQTDB-LJQANCHMSA-N
Search Google for chemicals with the same backbone VSLWUPHHCFQTDB
Search UniChem for chemical match using the InChIKey VSLWUPHHCFQTDB-LJQANCHMSA-N
Search UniChem for chemicals with the same backbone VSLWUPHHCFQTDB