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Name | SCHEMBL342214 |
---|---|
Molecular formula | C22H20F2N2O3S |
IUPAC name | 4-tert-butyl-N-[3,4-difluoro-2-(pyridine-4-carbonyl)phenyl]benzenesulfonamide |
Molecular weight | 430.47 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 5.1 |
Synonyms | JBXUEZZDBPVCMC-UHFFFAOYSA-N 4-tert-Butyl-N-[3,4-difluoro-2-(pyridi ne-4-carbonyl)-phenyl]-benzenesulfonamide CHEMBL3718056 4-tert-Butyl-N-[3,4-difluoro-2-(pyridine-4-carbonyl)-phenyl]-benzenesulfonamide |
Inchi Key | JBXUEZZDBPVCMC-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H20F2N2O3S/c1-22(2,3)15-4-6-16(7-5-15)30(28,29)26-18-9-8-17(23)20(24)19(18)21(27)14-10-12-25-13-11-14/h4-13,26H,1-3H3 |
PubChem CID | 10455361 |
ChEMBL | CHEMBL3718056 |
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 |
---|---|---|---|---|---|
525759 | C-C chemokine receptor type 9 | P51686 | CCR9 | Homo sapiens (Human) | 369 |
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