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Name | SMR000068630 |
---|---|
Molecular formula | C20H17ClN4O2S |
IUPAC name | 2-[[5-[(4-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-phenyl-1,3-oxazole |
Molecular weight | 412.892 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 0 |
XlogP | 4.0 |
Synonyms | AC1M9Z10 MolPort-004-082-765 CHEMBL1412804 ZINC3447624 3-[(4-chlorophenoxy)methyl]-4-methyl-5-{[(5-phenyl-1,3-oxazol-2-yl)methyl]sulfanyl}-4H-1,2,4-triazole [ Show all ] |
Inchi Key | AHTSXPJTVBZNTR-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C20H17ClN4O2S/c1-25-18(12-26-16-9-7-15(21)8-10-16)23-24-20(25)28-13-19-22-11-17(27-19)14-5-3-2-4-6-14/h2-11H,12-13H2,1H3 |
PubChem CID | 2567776 |
ChEMBL | CHEMBL1412804 |
IUPHAR | N/A |
BindingDB | N/A |
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 |
---|---|---|---|---|---|
5873 | Neuropeptide S receptor | Q6W5P4 | NPSR1 | Homo sapiens (Human) | 371 |
5874 | Thyrotropin receptor | P16473 | TSHR | Homo sapiens (Human) | 764 |
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