AVE 0991

Ligand id: 5579

Name: AVE 0991

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 13
Topological polar surface area 156.01
Molecular weight 580.18
XLogP 7.2
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-ethyl-1-[3-[4-[(5-formyl-4-methoxy-2-phenylimidazol-1-yl)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylurea
Database Links
CAS Registry No. 304462-19-9 (source: Scifinder)
PubChem CID 9851724
Search Google for chemical match using the InChIKey QTOZBSNPDCWHPV-UHFFFAOYSA-N
Search Google for chemicals with the same backbone QTOZBSNPDCWHPV
Search UniChem for chemical match using the InChIKey QTOZBSNPDCWHPV-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone QTOZBSNPDCWHPV
Comments
A non-peptide mimic of angiotensin-(1-7)