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Name | SMR000353138 |
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Molecular formula | C21H17Br2N3O7S |
IUPAC name | 2-[3-[2-(4-bromophenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl 3,5-dinitrobenzoate;bromide |
Molecular weight | 615.249 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 0 |
XlogP | None |
Synonyms | AKOS001015693 HMS2598D16 3-[2-(4-bromophenyl)-2-oxoethyl]-5-[2-(3,5-dinitrobenzoyloxy)ethyl]-4-methyl-1,3-thiazol-3-ium bromide MLS003911216 Z56770353 [ Show all ] |
Inchi Key | AHJMSRIGKBIGHN-UHFFFAOYSA-M |
Inchi ID | InChI=1S/C21H17BrN3O7S.BrH/c1-13-20(33-12-23(13)11-19(26)14-2-4-16(22)5-3-14)6-7-32-21(27)15-8-17(24(28)29)10-18(9-15)25(30)31;/h2-5,8-10,12H,6-7,11H2,1H3;1H/q+1;/p-1 |
PubChem CID | 16196220 |
ChEMBL | CHEMBL1391393 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. Partition coefficient log P of this ligand is not available. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
5619 | Neuropeptide S receptor | Q6W5P4 | NPSR1 | Homo sapiens (Human) | 371 |
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