compound 9f [PMID: 24412111]

Ligand id: 8508

Name: compound 9f [PMID: 24412111]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 91.76
Molecular weight 479.2
XLogP 5.19
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[(5R)-4-{2-[3-(3-methylbutoxy)phenyl]acetyl}-8-(trifluoromethyl)-1H,2H,3H,4H,5H-pyrido[2,3-e][1,4]diazepin-5-yl]acetic acid
Database Links
PubChem CID 91827365
Search Google for chemical match using the InChIKey DFAPMGLBHDJMNX-LJQANCHMSA-N
Search Google for chemicals with the same backbone DFAPMGLBHDJMNX
Search UniChem for chemical match using the InChIKey DFAPMGLBHDJMNX-LJQANCHMSA-N
Search UniChem for chemicals with the same backbone DFAPMGLBHDJMNX
Comments
Compound 9f is reported as a non-peptide, selective agonist of the bombesin BB3 receptor [1].