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Name | MLS000058307 |
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Molecular formula | C21H28N2O5S |
IUPAC name | [2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate |
Molecular weight | 420.524 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 3.4 |
Synonyms | BDBM82608 MolPort-005-508-044 2-acetamido-4,5-dimethyl-thiophene-3-carboxylic acid [2-keto-2-[1-(2-methoxy-1-methyl-ethyl)-2,5-dimethyl-pyrrol-3-yl]ethyl] ester cid_2999467 [2-[1-(1-methoxypropan-2-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate [ Show all ] |
Inchi Key | AFCCVBSTSKZFDS-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C21H28N2O5S/c1-11-8-17(14(4)23(11)12(2)9-27-7)18(25)10-28-21(26)19-13(3)15(5)29-20(19)22-16(6)24/h8,12H,9-10H2,1-7H3,(H,22,24) |
PubChem CID | 2999467 |
ChEMBL | CHEMBL1548195 |
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 |
---|---|---|---|---|---|
4029 | Thyrotropin receptor | P16473 | TSHR | Homo sapiens (Human) | 764 |
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