YS121

Ligand id: 5293

Name: YS121

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 100.41
Molecular weight 407.14
XLogP 6.62
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl}sulfanyl)octanoic acid
Database Links
CAS Registry No. 916482-17-2
ChEMBL Ligand CHEMBL518038
PubChem CID 24816385
Search Google for chemical match using the InChIKey HVJBWTVMRIOTEL-UHFFFAOYSA-N
Search Google for chemicals with the same backbone HVJBWTVMRIOTEL
Search UniChem for chemical match using the InChIKey HVJBWTVMRIOTEL-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone HVJBWTVMRIOTEL