S1P1 agonist 3
2-[4-[5-(3-chlorophenoxy)-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]-2,6-dimethylphenoxy]acetic acid
Molecular Identity
S1P1 agonist 3
2-[4-[5-(3-chlorophenoxy)-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]-2,6-dimethylphenoxy]acetic acid
PubChem CID: 53312127
2D Structure
Properties
C21H16ClN3O5
Molecular Formula
425.80
Molecular Weight
g/mol
425.0778
Exact Mass
Da
4.8
XLogP
Drug-like (Lipinski: < 5)
108
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
8
H-Bond Acceptors
587
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC(=CC(=C1OCC(=O)O)C)C2=NC3=CN=C(N=C3O2)OC4=CC(=CC=C4)ClIsomeric SMILES
SMILES: CC1=CC(=CC(=C1OCC(=O)O)C)C2=NC3=CN=C(N=C3O2)OC4=CC(=CC=C4)ClSynonyms(19)
SAR2477991315311-14-8S1P1 agonist 3A1LYQorb2944227SCHEMBL2224170CHEMBL5413017SCHEMBL31615140GTPL10938EX-A13772AKOS040756640Acetic acid, 2-[4-[5-(3-chlorophenoxy)oxazolo[5,4-d]pyrimidin-2-yl]-2,6-dimethylphenoxy]-DA-67348MS-27505HY-115831
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to S1P1 agonist 3
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