UAMC00039

Ligand id: 6538

Name: UAMC00039

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 58.36
Molecular weight 309.16
XLogP 2.06
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S)-2-amino-4-[(4-chlorophenyl)methylamino]-1-piperidin-1-ylbutan-1-one
Database Links
ChEMBL Ligand CHEMBL98869
PubChem CID 11232124
Search Google for chemical match using the InChIKey DNVZYSMOLXCOLY-HNNXBMFYSA-N
Search Google for chemicals with the same backbone DNVZYSMOLXCOLY
Search UniChem for chemical match using the InChIKey DNVZYSMOLXCOLY-HNNXBMFYSA-N
Search UniChem for chemicals with the same backbone DNVZYSMOLXCOLY
Comments
DPP2 inhibitor as function probe