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Name | SMR001246036 |
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Molecular formula | C23H22F2N2O5S |
IUPAC name | [2-[2-(2,5-dimethylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 4-(difluoromethoxy)-3-methoxybenzoate |
Molecular weight | 476.495 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 1 |
XlogP | 4.8 |
Synonyms | AKOS033453254 Z15936027 MCULE-2828236423 MolPort-004-117-132 (2-{[(2,5-dimethylphenyl)carbamoyl]methyl}-1,3-thiazol-4-yl)methyl 4-(difluoromethoxy)-3-methoxybenzoate [ Show all ] |
Inchi Key | AGFQCRRDQHBAGU-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C23H22F2N2O5S/c1-13-4-5-14(2)17(8-13)27-20(28)10-21-26-16(12-33-21)11-31-22(29)15-6-7-18(32-23(24)25)19(9-15)30-3/h4-9,12,23H,10-11H2,1-3H3,(H,27,28) |
PubChem CID | 16251697 |
ChEMBL | CHEMBL1866184 |
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 |
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463471 | Parathyroid hormone/parathyroid hormone-related peptide receptor | Q03431 | PTH1R | Homo sapiens (Human) | 593 |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218