Ro64-6198

Ligand id: 1684

Name: Ro64-6198

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 35.58
Molecular weight 401.25
XLogP 6.62
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
8-[(1S,3aS)-2,3,3a,4,5,6-hexahydro-1H-phenalen-1-yl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Synonyms
compound 3c [2] | Ro 64-6198 | Ro-646198 | Ro646198
Database Links
CAS Registry No. 280783-56-4 (source: Scifinder)
ChEMBL Ligand CHEMBL2088034
PubChem CID 9844019
Search Google for chemical match using the InChIKey JLFMYEAXZNPWBK-REWPJTCUSA-N
Search Google for chemicals with the same backbone JLFMYEAXZNPWBK
Search UniChem for chemical match using the InChIKey JLFMYEAXZNPWBK-REWPJTCUSA-N
Search UniChem for chemicals with the same backbone JLFMYEAXZNPWBK
Wikipedia Ro64-6198
Comments
Activity data in PubChem for this compound is also listed against the alternative structure with CID 10763594.