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Name | MLS000416520 |
---|---|
Molecular formula | C21H19BrN2O6S2 |
IUPAC name | [2-(4-bromoanilino)-2-oxoethyl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate |
Molecular weight | 539.415 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 1 |
XlogP | 4.1 |
Synonyms | 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetic acid [2-(4-bromoanilino)-2-oxoethyl] ester HMS2529F18 MolPort-005-843-983 AKOS007950197 [2-(4-bromoanilino)-2-oxoethyl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate [ Show all ] |
Inchi Key | AOGPKUWIJLMYCC-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C21H19BrN2O6S2/c1-24(32(27,28)21-3-2-12-31-21)17-8-10-18(11-9-17)29-14-20(26)30-13-19(25)23-16-6-4-15(22)5-7-16/h2-12H,13-14H2,1H3,(H,23,25) |
PubChem CID | 2577649 |
ChEMBL | CHEMBL1470802 |
IUPHAR | N/A |
BindingDB | 88607 |
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 |
---|---|---|---|---|---|
10222 | Melanocortin receptor 4 | P32245 | MC4R | Homo sapiens (Human) | 332 |
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