ABT-639

Ligand id: 7721

Name: ABT-639

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 78.1
Molecular weight 455.09
XLogP 2.97
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-4-chloro-2-fluoro-N-(2-fluorophenyl)benzenesulfonamide
Synonyms
ABT 639 | ABT639
Database Links
CAS Registry No. 1235560-28-7 (source: Scifinder)
GtoPdb PubChem SID 223366054
PubChem CID 46851313
Search Google for chemical match using the InChIKey AGPIHNZOZNKRGT-CYBMUJFWSA-N
Search Google for chemicals with the same backbone AGPIHNZOZNKRGT
Search UniChem for chemical match using the InChIKey AGPIHNZOZNKRGT-CYBMUJFWSA-N
Search UniChem for chemicals with the same backbone AGPIHNZOZNKRGT