nepicastat

Ligand id: 6630

Name: nepicastat

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 73.38
Molecular weight 295.1
XLogP 2.96
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-(aminomethyl)-1-[(2S)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-3H-imidazole-2-thione
International Nonproprietary Names
INN number INN
7691 nepicastat
Synonyms
RS-25560-197 | SYN117
Database Links
CAS Registry No. 173997-05-2
ChEMBL Ligand CHEMBL1188395
PubChem CID 9796181
Search Google for chemical match using the InChIKey YZZVIKDAOTXDEB-JTQLQIEISA-N
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Search UniChem for chemical match using the InChIKey YZZVIKDAOTXDEB-JTQLQIEISA-N
Search UniChem for chemicals with the same backbone YZZVIKDAOTXDEB
Wikipedia Nepicastat