Ligand Id: 1684
Ligand name Ro64-6198

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


Summary Biological activity References Structure
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
(1S,3aS)-8-(2,3,3a,4,5,6-hexahydro-1H-phenalen-1-yl)-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one
(1S,3aS)-8-(2,3,3a,4.5.6-hexahydro-1H-phenalen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
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
Ro646198
Database Links
ChEMBL Ligand 540962
PubChem CID 9844019
Search Google for chemical match using the InChIKey JLFMYEAXZNPWBK-REWPJTCUSA-N
Search Google for chemicals with the same backbone JLFMYEAXZNPWBK
Wikipedia Ro64-6198
ZINC ZINC03963671

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