T-98475

Ligand id: 1184

Name: T-98475

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 13
Topological polar surface area 107.19
Molecular weight 657.25
XLogP 8.26
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
propan-2-yl 7-[(2,6-difluorophenyl)methyl]-3-[(methyl-(phenylmethyl)amino)methyl]-2-[4-(2-methylpropanoylamino)phenyl]-4-oxothieno[3,2-e]pyridine-5-carboxylate
Synonyms
T 98475 | T98475
Database Links
BindingDB Ligand 50109208
CAS Registry No. 199119-18-1 (source: Scifinder)
ChEMBL Ligand CHEMBL71917
PubChem CID 9874838
Search Google for chemical match using the InChIKey RANJJVIMTOIWIN-UHFFFAOYSA-N
Search Google for chemicals with the same backbone RANJJVIMTOIWIN
Search UniChem for chemical match using the InChIKey RANJJVIMTOIWIN-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone RANJJVIMTOIWIN