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Name | MLS000113318 |
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Molecular formula | C16H18N2O3S |
IUPAC name | benzyl 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetate |
Molecular weight | 318.391 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 2.8 |
Synonyms | benzyl 2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetate SMR000109220 AKOS003271826 HMS3320D22 benzyl [(4-hydroxy-6-propylpyrimidin-2-yl)sulfanyl]acetate [ Show all ] |
Inchi Key | AHVUGUDRYDPWGA-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C16H18N2O3S/c1-2-6-13-9-14(19)18-16(17-13)22-11-15(20)21-10-12-7-4-3-5-8-12/h3-5,7-9H,2,6,10-11H2,1H3,(H,17,18,19) |
PubChem CID | 135449278 |
ChEMBL | CHEMBL1342249 |
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 |
---|---|---|---|---|---|
5922 | Thyrotropin receptor | P16473 | TSHR | Homo sapiens (Human) | 764 |
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