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Name | MLS000589773 |
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Molecular formula | C20H23N3O2S |
IUPAC name | ethyl 4-[5-(2-phenylethyl)-2-sulfanylidene-1,3,5-triazinan-1-yl]benzoate |
Molecular weight | 369.483 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 3.9 |
Synonyms | cid_980466 MolPort-002-586-997 AQ-090/41740654 ethyl 4-[5-(2-phenylethyl)-2-thioxo-1,3,5-triazinan-1-yl]benzoate ZINC19922951 [ Show all ] |
Inchi Key | BIHPEXBRJDRAAX-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C20H23N3O2S/c1-2-25-19(24)17-8-10-18(11-9-17)23-15-22(14-21-20(23)26)13-12-16-6-4-3-5-7-16/h3-11H,2,12-15H2,1H3,(H,21,26) |
PubChem CID | 980466 |
ChEMBL | CHEMBL1343298 |
IUPHAR | N/A |
BindingDB | 96636 |
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 |
---|---|---|---|---|---|
24444 | Trace amine-associated receptor 1 | Q96RJ0 | TAAR1 | Homo sapiens (Human) | 339 |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218