Ligand Id: 1860
Ligand name apafant

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 100.85
Molecular weight 455.12
XLogP 3.46
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Summary Biological activity References Structure Similar ligands Radio analogues
Classification
Compound class Synthetic organic
IUPAC Name
3-[7-(2-chlorophenyl)-13-methyl-3-thia-1,8,11,12-tetraazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-4-yl]-1-(morpholin-4-yl)propan-1-one
International Nonproprietary Names
INN number INN
6369 apafant
Synonyms
WEB 2086
Database Links
ChEBI CHEBI:124420
ChEMBL Ligand 124420
PubChem CID 65889
Search on ChemSpider JGPJQFOROWSRRS-UHFFFAOYSA-N
ZINC ZINC00608180

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