NB-598

Ligand id: 3103

Name: NB-598

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 9
Topological polar surface area 68.95
Molecular weight 449.18
XLogP 8.05
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[(2E)-6,6-dimethylhept-2-en-4-yn-1-yl](ethyl)[(3-{[4-(thiophen-3-yl)thiophen-2-yl]methoxy}phenyl)methyl]amine
Synonyms
NB 598
Database Links
CAS Registry No. 131060-14-5 (source: Scifinder)
ChEMBL Ligand CHEMBL27885
PubChem CID 6443223
Search Google for chemical match using the InChIKey KIRGLCXNEVICOG-SOFGYWHQSA-N
Search Google for chemicals with the same backbone KIRGLCXNEVICOG
Search UniChem for chemical match using the InChIKey KIRGLCXNEVICOG-SOFGYWHQSA-N
Search UniChem for chemicals with the same backbone KIRGLCXNEVICOG