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Name | AC1LQT3K |
---|---|
Molecular formula | C18H15ClN4S |
IUPAC name | 2-[5-(3-chlorophenyl)-1,2,4-triazol-1-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile |
Molecular weight | 354.856 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 0 |
XlogP | 5.5 |
Synonyms | Oprea1_771967 CHEMBL1434294 ZINC1197029 2-[5-(3-chlorophenyl)-1,2,4-triazol-1-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile MolPort-002-167-886 [ Show all ] |
Inchi Key | ADWFVEDWMHSIPH-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C18H15ClN4S/c19-13-6-4-5-12(9-13)17-21-11-22-23(17)18-15(10-20)14-7-2-1-3-8-16(14)24-18/h4-6,9,11H,1-3,7-8H2 |
PubChem CID | 1356393 |
ChEMBL | CHEMBL1434294 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
463268 | Parathyroid hormone/parathyroid hormone-related peptide receptor | Q03431 | PTH1R | Homo sapiens (Human) | 593 |
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