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Name | CHEMBL319986 |
---|---|
Molecular formula | C32H37FN4O3 |
IUPAC name | N-tert-butyl-2-[(3R,5S,7R)-7-(3-fluorophenyl)-3-[(3-methylphenyl)carbamoylamino]-2-oxo-5-phenylazepan-1-yl]acetamide |
Molecular weight | 544.671 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 3 |
XlogP | 5.0 |
Synonyms | BDBM50283831 N-tert-Butyl-2-[(3R,5S,7R)-7-(3-fluoro-phenyl)-2-oxo-5-phenyl-3-(3-m-tolyl-ureido)-azepan-1-yl]-acetamide |
Inchi Key | CHYXBVRNXVPDAR-HNPKZYAISA-N |
Inchi ID | InChI=1S/C32H37FN4O3/c1-21-10-8-15-26(16-21)34-31(40)35-27-18-24(22-11-6-5-7-12-22)19-28(23-13-9-14-25(33)17-23)37(30(27)39)20-29(38)36-32(2,3)4/h5-17,24,27-28H,18-20H2,1-4H3,(H,36,38)(H2,34,35,40)/t24-,27+,28+/m0/s1 |
PubChem CID | 44329487 |
ChEMBL | CHEMBL319986 |
IUPHAR | N/A |
BindingDB | 50283831 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
42434 | Cholecystokinin receptor type A | Q63931 | CCKAR | Cavia porcellus (Guinea pig) | 430 |
42433 | Gastrin/cholecystokinin type B receptor | P32239 | CCKBR | Homo sapiens (Human) | 447 |
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