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Name | AC1LDFVB |
---|---|
Molecular formula | C13H7Cl2N3O3 |
IUPAC name | 3-[2-(3,5-dichloro-1,2,4-triazol-1-yl)acetyl]chromen-2-one |
Molecular weight | 324.117 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 0 |
XlogP | 3.6 |
Synonyms | MCULE-3415378862 A3872/0164521 SMR000035798 2H-1-Benzopyran-2-one, 3-[2-(3,5-dichloro-1H-1,2,4-triazol-1-yl)acetyl]- AKOS003366316 [ Show all ] |
Inchi Key | ACIJLVMBHSTHLJ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C13H7Cl2N3O3/c14-12-16-13(15)18(17-12)6-9(19)8-5-7-3-1-2-4-10(7)21-11(8)20/h1-5H,6H2 |
PubChem CID | 666386 |
ChEMBL | CHEMBL1462825 |
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 |
---|---|---|---|---|---|
1610 | Thyrotropin receptor | P16473 | TSHR | Homo sapiens (Human) | 764 |
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