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Name | SMR000363287 |
---|---|
Molecular formula | C17H19ClN2O7S2 |
IUPAC name | 4-[5-[2-(2-chloro-5-nitrobenzoyl)oxyethyl]-4-methyl-1,3-thiazol-3-ium-3-yl]butane-1-sulfonate |
Molecular weight | 462.916 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 0 |
XlogP | 3.2 |
Synonyms | Z56774631 MCULE-3663098633 301842-67-1 AC1M4IFE MolPort-009-217-181 [ Show all ] |
Inchi Key | AJECNCFBLCRTNV-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C17H19ClN2O7S2/c1-12-16(28-11-19(12)7-2-3-9-29(24,25)26)6-8-27-17(21)14-10-13(20(22)23)4-5-15(14)18/h4-5,10-11H,2-3,6-9H2,1H3 |
PubChem CID | 2308387 |
ChEMBL | CHEMBL1423887 |
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 |
---|---|---|---|---|---|
6827 | Relaxin receptor 1 | Q9HBX9 | RXFP1 | Homo sapiens (Human) | 757 |
6828 | Vasopressin V1b receptor | P47901 | AVPR1B | Homo sapiens (Human) | 424 |
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