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Name | CHEMBL300066 |
---|---|
Molecular formula | C24H27N3O4S2 |
IUPAC name | 4-tert-butyl-N-[5-(3-cyanopropyl)-4-(3-methoxyphenyl)sulfanyl-1,2-oxazol-3-yl]benzenesulfonamide |
Molecular weight | 485.617 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 1 |
XlogP | 5.3 |
Synonyms | 3-(4-tert-Butylphenylsulfonylamino)-4-(3-methoxyphenylthio)isoxazole-5-butanenitrile BDBM50091539 4-tert-Butyl-N-[5-(3-cyano-propyl)-4-(3-methoxy-phenylsulfanyl)-isoxazol-3-yl]-benzenesulfonamide |
Inchi Key | CAWAINHZBODTLN-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C24H27N3O4S2/c1-24(2,3)17-11-13-20(14-12-17)33(28,29)27-23-22(21(31-26-23)10-5-6-15-25)32-19-9-7-8-18(16-19)30-4/h7-9,11-14,16H,5-6,10H2,1-4H3,(H,26,27) |
PubChem CID | 44298343 |
ChEMBL | CHEMBL300066 |
IUPHAR | N/A |
BindingDB | 50091539 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
37578 | Endothelin receptor type B | P35463 | EDNRB | Sus scrofa (Pig) | 443 |
37579 | Endothelin-1 receptor | P26684 | Ednra | Rattus norvegicus (Rat) | 426 |
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