lergotrile

Ligand id: 270

Name: lergotrile

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 42.82
Molecular weight 299.12
XLogP 2.61
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[(6aR,9S,10aR)-5-chloro-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-yl]acetonitrile
International Nonproprietary Names
INN number INN
3594 lergotrile
Synonyms
LY 79907
Database Links
BindingDB Ligand 50028672
CAS Registry No. 36945-03-6 (source: Scifinder)
ChEMBL Ligand CHEMBL80937
PubChem CID 6918447
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