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Name | CHEMBL3949209 |
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Molecular formula | C15H20ClN3O7S |
IUPAC name | 3-[(4-amino-5-morpholin-4-yl-5-oxopentanoyl)amino]-5-chloro-2-hydroxybenzenesulfonic acid |
Molecular weight | 421.849 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 4 |
XlogP | -3.1 |
Synonyms | SCHEMBL14791505 US9253997, 58 BDBM205512 |
Inchi Key | DPPAPMQOSKTCJI-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C15H20ClN3O7S/c16-9-7-11(14(21)12(8-9)27(23,24)25)18-13(20)2-1-10(17)15(22)19-3-5-26-6-4-19/h7-8,10,21H,1-6,17H2,(H,18,20)(H,23,24,25) |
PubChem CID | 76026313 |
ChEMBL | CHEMBL3949209 |
IUPHAR | N/A |
BindingDB | 205512 |
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 |
---|---|---|---|---|---|
537572 | Extracellular calcium-sensing receptor | P41180 | CASR | Homo sapiens (Human) | 1078 |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417