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Name | SMR000635310 |
---|---|
Molecular formula | C27H28N6O5S |
IUPAC name | N-(2,4-dimethoxyphenyl)-5-methyl-4-oxo-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide |
Molecular weight | 548.618 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 1 |
XlogP | 2.8 |
Synonyms | CHEMBL1524780 N-(2,4-dimethoxyphenyl)-5-methyl-4-oxo-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide HMS633A12 AKOS002132046 MLS003882395 [ Show all ] |
Inchi Key | AEBNNQRLVCYSEM-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C27H28N6O5S/c1-17-23-26(39-24(17)25(35)30-19-8-7-18(37-2)14-20(19)38-3)29-16-33(27(23)36)15-22(34)32-12-10-31(11-13-32)21-6-4-5-9-28-21/h4-9,14,16H,10-13,15H2,1-3H3,(H,30,35) |
PubChem CID | 6616991 |
ChEMBL | CHEMBL1524780 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
463283 | 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