BMY 45778   Click here for help

GtoPdb Ligand ID: 1963

Synonyms: BMY-45778 | BMY45778
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 98.59
Molecular weight 438.12
XLogP 5.43
No. Lipinski's rules broken 1
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Canonical SMILES OC(=O)COc1cccc(c1)c1ocnc1c1nc(c(o1)c1ccccc1)c1ccccc1
Isomeric SMILES OC(=O)COc1cccc(c1)c1ocnc1c1nc(c(o1)c1ccccc1)c1ccccc1
InChI InChI=1S/C26H18N2O5/c29-21(30)15-31-20-13-7-12-19(14-20)24-23(27-16-32-24)26-28-22(17-8-3-1-4-9-17)25(33-26)18-10-5-2-6-11-18/h1-14,16H,15H2,(H,29,30)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-[3-[4-[4,5-di(phenyl)-1,3-oxazol-2-yl]-1,3-oxazol-5-yl]phenoxy]acetic acid
Synonyms Click here for help
BMY-45778 | BMY45778
Database Links Click here for help
Specialist databases
GPCRdb Ligand BMY 45778
Other databases
CAS Registry No. 152575-66-1
ChEMBL Ligand CHEMBL125569
GtoPdb PubChem SID 135650008
PubChem CID 127861
Search Google for chemical match using the InChIKey DSRSEEYZGWTODH-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey DSRSEEYZGWTODH-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey DSRSEEYZGWTODH-UHFFFAOYSA-N

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BMY 45778 (links to external site)
Cat. No. 1442