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Name | MLS000118627 |
---|---|
Molecular formula | C23H20N6O3S2 |
IUPAC name | N-(5-methyl-1,2-oxazol-3-yl)-2-[[4-(2-methylphenyl)-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide |
Molecular weight | 492.572 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 1 |
XlogP | 3.8 |
Synonyms | BDBM37799 MCULE-1713200223 ZINC6530950 2-[[5-[(2-keto-1,3-benzothiazol-3-yl)methyl]-4-(o-tolyl)-1,2,4-triazol-3-yl]thio]-N-(5-methylisoxazol-3-yl)acetamide N-(5-methyl-1,2-oxazol-3-yl)-2-[[4-(2-methylphenyl)-5-[(2-oxidanylidene-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanamide [ Show all ] |
Inchi Key | AIJXENIASDJLKH-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C23H20N6O3S2/c1-14-7-3-4-8-16(14)29-20(12-28-17-9-5-6-10-18(17)34-23(28)31)25-26-22(29)33-13-21(30)24-19-11-15(2)32-27-19/h3-11H,12-13H2,1-2H3,(H,24,27,30) |
PubChem CID | 5309804 |
ChEMBL | CHEMBL1498055 |
IUPHAR | N/A |
BindingDB | 37799 |
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 |
---|---|---|---|---|---|
6295 | fMet-Leu-Phe receptor | P21462 | FPR1 | Homo sapiens (Human) | 350 |
6296 | N-formyl peptide receptor 2 | P25090 | FPR2 | Homo sapiens (Human) | 351 |
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