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Name | 37539-03-0 |
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Molecular formula | C10H11N5O3S2 |
IUPAC name | (6R,7R)-7-amino-8-oxo-3-(2H-triazol-4-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
Molecular weight | 313.35 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 3 |
XlogP | -3.5 |
Synonyms | (6R-trans)-7-Amino-8-oxo-3-((1H-1,2,3-triazol-4-ylthio)methyl)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid 7beta-amino-3-(1H-1,2,3-triazol-5-yl)thiomethyl-3-cephem-4-carboxylic acid DTXSID80190978 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-amino-8-oxo-3-[(1H-1,2,3-triazol-4-ylthio)methyl]-, (6R,7R)- (9CI) BDBM81478 [ Show all ] |
Inchi Key | MLOZJRLUNNFSGD-HZGVNTEJSA-N |
Inchi ID | InChI=1S/C10H11N5O3S2/c11-6-8(16)15-7(10(17)18)4(3-20-9(6)15)2-19-5-1-12-14-13-5/h1,6,9H,2-3,11H2,(H,17,18)(H,12,13,14)/t6-,9-/m1/s1 |
PubChem CID | 6400459 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 81478 |
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 |
---|---|---|---|---|---|
556300 | Gamma-aminobutyric acid type B receptor subunit 1 | Q9Z0U4 | Gabbr1 | Rattus norvegicus (Rat) | 991 |
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