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Name | MLS000711749 |
---|---|
Molecular formula | C19H25N3O |
IUPAC name | N-[(Z)-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylidene]amino]pyridine-4-carboxamide |
Molecular weight | 311.429 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 1 |
XlogP | 3.3 |
Synonyms | Isonicotinic acid [1-methyl-3-(2,6,6-trimethyl-cyclohex-1-enyl)-allylidene]-hydr AKOS001693431 N-[(Z)-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylidene]amino]pyridine-4-carboxamide CHEMBL3195277 BAS 00221003 [ Show all ] |
Inchi Key | DVRXMZOCRXBBNX-ZNOVWMRNSA-N |
Inchi ID | InChI=1S/C19H25N3O/c1-14-6-5-11-19(3,4)17(14)8-7-15(2)21-22-18(23)16-9-12-20-13-10-16/h7-10,12-13H,5-6,11H2,1-4H3,(H,22,23)/b8-7+,21-15- |
PubChem CID | 5410134 |
ChEMBL | CHEMBL3195277 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
70176 | C-C chemokine receptor type 6 | P51684 | CCR6 | Homo sapiens (Human) | 374 |
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