compound 42 [PMID: 22545772]

Ligand id: 5735

Name: compound 42 [PMID: 22545772]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 117.09
Molecular weight 420.2
XLogP 1.77
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[({2-[(2S)-2-methyl-4-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]piperazin-1-yl]pyrimidin-5-yl}oxy)methyl]pyridine-3-carbonitrile
Database Links
GtoPdb PubChem SID 178102361
PubChem CID 60168163
Search Google for chemical match using the InChIKey UNGZTVLHLKAKQE-HNNXBMFYSA-N
Search Google for chemicals with the same backbone UNGZTVLHLKAKQE
Search UniChem for chemical match using the InChIKey UNGZTVLHLKAKQE-HNNXBMFYSA-N
Search UniChem for chemicals with the same backbone UNGZTVLHLKAKQE