Ligand Id: 129
Ligand name S33084

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 65.36
Molecular weight 451.23
XLogP 7.48
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Summary Biological activity References Structure Similar ligands
Classification
Compound class Synthetic organic
IUPAC Name
N-[4-[(3aR,9bS)-8-cyano-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-2-yl]butyl]-4-phenylbenzamide
Synonyms
(3aR,9bS)-N-[4-(8-cyano-1,3a,4,9b-tetrahydro-3H-benzopyrano[3,4-c]pyrrole-2-yl)-butyl]-(4-phenyl)benzamide
(3aR,9bS)-N[4-(8-cyano-1,3a,4,9b-tetrahydro-3H-benzopyrano[3,4-c]pyrrole-2-yl)-butyl] (4-phenyl)benzamide
Biphenyl-4-carboxylic acid [4-(8-cyano-1,3a,4,9b-tetrahydro-3H-chromeno[3,4-c]pyrrol-2-yl)-butyl]-amide
N-[4-[(3aR,9bS)-8-cyano-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-2-yl]butyl]-4-phenylbenzamide
N-[4-(8-cyano-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-2-yl)butyl]-4-phenylbenzamide
S 33084
Database Links
CAS Registry No. 273203-30-8 (source: Scifinder)
ChEMBL Ligand 199837, 200357, 199789
PubChem CID 9868452
Search on ChemSpider QQJHRQZZCNYDMX-VPUSJEBWSA-N
ZINC ZINC03941217
iPHACE 998V9I17

Please note: some links may refer to related isomers. For more details please contact: curators@iuphar-db.org