beta-ergocriptine

Ligand id: 988

Name: beta-ergocriptine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 3
Rotatable bonds 6
Topological polar surface area 118.21
Molecular weight 575.31
XLogP 2.46
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(4R,7R)-N-[(1S,2S,4R,7R)-7-[(2S)-butan-2-yl]-2-hydroxy-5,8-dioxo-4-(propan-2-yl)-3-oxa-6,9-diazatricyclo[7.3.0.0^{2,6}]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),2,9,12,14-pentaene-4-carboxamide
Database Links
PubChem CID 161309
Search Google for chemical match using the InChIKey YYWXOXLDOMRDHW-SGVWFJRMSA-N
Search Google for chemicals with the same backbone YYWXOXLDOMRDHW
Search UniChem for chemical match using the InChIKey YYWXOXLDOMRDHW-SGVWFJRMSA-N
Search UniChem for chemicals with the same backbone YYWXOXLDOMRDHW
Wikipedia Beta-Ergocryptine