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Name | CHEMBL352459 |
---|---|
Molecular formula | C17H17N5O6S2 |
IUPAC name | 1-(furan-2-ylmethyl)-3-[4-(furan-2-ylmethylsulfamoyl)-2-nitroanilino]thiourea |
Molecular weight | 451.472 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 4 |
XlogP | 2.4 |
Synonyms | 1-[2-Nitro-4-(2-furanylmethylsulfamoyl)phenyl]-4-(2-furanylmethyl)thiosemicarbazide BDBM50085692 2-{4-[2-furylmethylamino(thioxo)methylhydrazine]-3-nitrophenylsulfonamidomethyl}furan |
Inchi Key | YPEPVGSAMZZBGJ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C17H17N5O6S2/c23-22(24)16-9-14(30(25,26)19-11-13-4-2-8-28-13)5-6-15(16)20-21-17(29)18-10-12-3-1-7-27-12/h1-9,19-20H,10-11H2,(H2,18,21,29) |
PubChem CID | 10742229 |
ChEMBL | CHEMBL352459 |
IUPHAR | N/A |
BindingDB | 50085692 |
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 |
---|---|---|---|---|---|
415871 | B2 bradykinin receptor | P25023 | Bdkrb2 | Rattus norvegicus (Rat) | 396 |
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