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Name | SR-01000759121-1 |
---|---|
Molecular formula | C23H23NO4 |
IUPAC name | [2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-hydroxy-2-phenylacetate |
Molecular weight | 377.44 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 3.7 |
Synonyms | 2-(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl 2-hydroxy-2-phenylacetate cid_23566939 [2-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-oxidanyl-2-phenyl-ethanoate 2-hydroxy-2-phenyl-acetic acid [2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester MCULE-9529203459 [ Show all ] |
Inchi Key | CCBQLGGKCXDGFS-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C23H23NO4/c1-16-13-20(17(2)24(16)14-18-9-5-3-6-10-18)21(25)15-28-23(27)22(26)19-11-7-4-8-12-19/h3-13,22,26H,14-15H2,1-2H3 |
PubChem CID | 23566939 |
ChEMBL | CHEMBL1556535 |
IUPHAR | N/A |
BindingDB | 41722 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
38426 | Sphingosine 1-phosphate receptor 2 | O95136 | S1PR2 | Homo sapiens (Human) | 353 |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218