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Name | CHEMBL1165432 |
---|---|
Molecular formula | C29H26FN5O4 |
IUPAC name | N-[4-[3-[(3-amino-2,2-dimethylpropyl)carbamoyl]phenyl]-3-cyano-6-(4-fluoro-2-hydroxyphenyl)pyridin-2-yl]furan-2-carboxamide |
Molecular weight | 527.556 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 4 |
XlogP | 4.2 |
Synonyms | N-[4-{3-[(3-Amino-2,2-dimethylpropyl)carbamoyl]-phenyl}-3-cyano-6-(4-fluoro-2-hydroxyphenyl)pyridin-2-yl]-furan-2-carboxamide SCHEMBL13801716 BDBM50320823 |
Inchi Key | FNXVBWFYIVIMIU-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C29H26FN5O4/c1-29(2,15-32)16-33-27(37)18-6-3-5-17(11-18)21-13-23(20-9-8-19(30)12-24(20)36)34-26(22(21)14-31)35-28(38)25-7-4-10-39-25/h3-13,36H,15-16,32H2,1-2H3,(H,33,37)(H,34,35,38) |
PubChem CID | 136016412 |
ChEMBL | CHEMBL1165432 |
IUPHAR | N/A |
BindingDB | 50320823 |
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 |
---|---|---|---|---|---|
559877 | KiSS-1 receptor | Q969F8 | KISS1R | Homo sapiens (Human) | 398 |
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