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Name | MLS001177120 |
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Molecular formula | C22H27N3O6S |
IUPAC name | 4-[3-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-hydroxypropoxy]benzonitrile |
Molecular weight | 461.533 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 1 |
XlogP | 1.6 |
Synonyms | AKOS001285937 SMR000595686 CHEMBL1735811 924421-90-9 AKOS016888998 [ Show all ] |
Inchi Key | ADWBDKJVZCLRJL-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H27N3O6S/c1-29-20-7-8-21(30-2)22(13-20)32(27,28)25-11-9-24(10-12-25)15-18(26)16-31-19-5-3-17(14-23)4-6-19/h3-8,13,18,26H,9-12,15-16H2,1-2H3 |
PubChem CID | 16319788 |
ChEMBL | CHEMBL1735811 |
IUPHAR | N/A |
BindingDB | N/A |
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 |
---|---|---|---|---|---|
463267 | Parathyroid hormone/parathyroid hormone-related peptide receptor | Q03431 | PTH1R | Homo sapiens (Human) | 593 |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218