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Name | SMR000095640 |
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Molecular formula | C24H25N5O3S |
IUPAC name | N-(3-methoxyphenyl)-2-[[4-(4-methoxyphenyl)-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide |
Molecular weight | 463.556 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 3.5 |
Synonyms | AC1NSDGO MLS000878580 CHEMBL1424889 N-(3-methoxyphenyl)-2-((4-(4-methoxyphenyl)-5-((1-methyl-1H-pyrrol-2-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide MCULE-7441762350 [ Show all ] |
Inchi Key | AIFLLHWMZIKAAP-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C24H25N5O3S/c1-28-13-5-7-19(28)15-22-26-27-24(29(22)18-9-11-20(31-2)12-10-18)33-16-23(30)25-17-6-4-8-21(14-17)32-3/h4-14H,15-16H2,1-3H3,(H,25,30) |
PubChem CID | 5307866 |
ChEMBL | CHEMBL1424889 |
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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463618 | 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