SAR247799   Click here for help

GtoPdb Ligand ID: 10938

Compound class: Synthetic organic
Comment: Biased agonist of the S1P1 receptor which preferentially activates downstream G protein signaling to a greater extent than β-arrestin and internalization signaling pathways.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 107.57
Molecular weight 425.08
XLogP 4.17
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)COc1c(C)cc(cc1C)c1nc2c(o1)nc(nc2)Oc1cccc(c1)Cl
Isomeric SMILES OC(=O)COc1c(C)cc(cc1C)c1nc2c(o1)nc(nc2)Oc1cccc(c1)Cl
InChI InChI=1S/C21H16ClN3O5/c1-11-6-13(7-12(2)18(11)28-10-17(26)27)19-24-16-9-23-21(25-20(16)30-19)29-15-5-3-4-14(22)8-15/h3-9H,10H2,1-2H3,(H,26,27)
InChI Key WRBZNIUFAKIIQG-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-[4-[5-(3-chlorophenoxy)-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]-2,6-dimethylphenoxy]acetic acid
Database Links Click here for help
GtoPdb PubChem SID 405560379
PubChem CID 53312127
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