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Name | SMR000068604 |
---|---|
Molecular formula | C23H17N5O2S |
IUPAC name | 2-[4-[(2-pyridin-3-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-1,3,4-oxadiazole |
Molecular weight | 427.482 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 0 |
XlogP | 4.7 |
Synonyms | MCULE-5236866838 852222-84-5 MolPort-004-082-573 ZINC3446427 2-[4-[(2-pyridin-3-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-1,3,4-oxadiazole [ Show all ] |
Inchi Key | AFVJVSLUFOZAOY-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C23H17N5O2S/c1-2-6-18-17(5-1)19-22(26-20(27-23(19)31-18)15-4-3-11-24-12-15)30-16-9-7-14(8-10-16)21-28-25-13-29-21/h3-4,7-13H,1-2,5-6H2 |
PubChem CID | 2566577 |
ChEMBL | CHEMBL1363103 |
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 |
---|---|---|---|---|---|
4529 | Thyrotropin receptor | P16473 | TSHR | Homo sapiens (Human) | 764 |
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