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Name | CHEMBL1171296 |
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Molecular formula | C30H26FN5O4 |
IUPAC name | N-[3-cyano-6-(4-fluoro-2-hydroxyphenyl)-4-[3-[(2-piperidin-1-ylacetyl)amino]phenyl]pyridin-2-yl]furan-2-carboxamide |
Molecular weight | 539.567 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 3 |
XlogP | 4.8 |
Synonyms | SCHEMBL13801964 BDBM50322297 N-[3-Cyano-6-(4-fluoro-2-hydroxyphenyl)-4-{3-[(pyrrolidin-1-ylacetyl)amino]phenyl}pyridin-2-yl]furan-2-carboxamide |
Inchi Key | BUCTUHCCKBUAHS-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C30H26FN5O4/c31-20-9-10-22(26(37)15-20)25-16-23(24(17-32)29(34-25)35-30(39)27-8-5-13-40-27)19-6-4-7-21(14-19)33-28(38)18-36-11-2-1-3-12-36/h4-10,13-16,37H,1-3,11-12,18H2,(H,33,38)(H,34,35,39) |
PubChem CID | 136016492 |
ChEMBL | CHEMBL1171296 |
IUPHAR | N/A |
BindingDB | 50322297 |
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 |
---|---|---|---|---|---|
558279 | KiSS-1 receptor | Q969F8 | KISS1R | Homo sapiens (Human) | 398 |
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