BAY607550

Ligand id: 5147

Name: BAY607550

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 10
Topological polar surface area 97.64
Molecular weight 477.25
XLogP 6.69
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[(3,4-dimethoxyphenyl)methyl]-7-[(2R,3R)-2-hydroxy-6-phenylhexan-3-yl]-5-methyl-1H-imidazo[5,1-f][1,2,4]triazin-4-one
Synonyms
BAY 60-7550 | BAY-607550
Database Links
CAS Registry No. 439083-90-6
ChEMBL Ligand CHEMBL370962
GtoPdb PubChem SID 178101839
PubChem CID 25273570
RCSB PDB Ligand 19F
Search Google for chemical match using the InChIKey MYTWFJKBZGMYCS-NQIIRXRSSA-N
Search Google for chemicals with the same backbone MYTWFJKBZGMYCS
Search UniChem for chemical match using the InChIKey MYTWFJKBZGMYCS-NQIIRXRSSA-N
Search UniChem for chemicals with the same backbone MYTWFJKBZGMYCS