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Name | AC1M4T7D |
---|---|
Molecular formula | C19H15F3N4S |
IUPAC name | 2-[5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile |
Molecular weight | 388.412 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 0 |
XlogP | 5.7 |
Synonyms | MCULE-2018560662 SR-01000475154 CHEMBL1437502 2-[5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile MolPort-002-167-748 [ Show all ] |
Inchi Key | AIBKNQVVYKIQAL-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C19H15F3N4S/c20-19(21,22)15-8-5-4-7-13(15)17-24-11-25-26(17)18-14(10-23)12-6-2-1-3-9-16(12)27-18/h4-5,7-8,11H,1-3,6,9H2 |
PubChem CID | 2266530 |
ChEMBL | CHEMBL1437502 |
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 |
---|---|---|---|---|---|
463607 | Parathyroid hormone/parathyroid hormone-related peptide receptor | Q03431 | PTH1R | Homo sapiens (Human) | 593 |
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