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Name | SCHEMBL343854 |
---|---|
Molecular formula | C25H22ClN3O4S |
IUPAC name | N-[4-chloro-2-(6-methylpyridine-3-carbonyl)phenyl]-4-[2-(1,3-oxazol-2-yl)propan-2-yl]benzenesulfonamide |
Molecular weight | 495.978 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 5.5 |
Synonyms | CHEMBL3716682 BEEBVQCHEBDNID-UHFFFAOYSA-N N-[4-Chloro-2-(6-methyl-pyridine-3-carbonyl)-phenyl]-4-(1-methyl-1-oxazol-2-yl-ethyl)-benzenesulfonamide |
Inchi Key | BEEBVQCHEBDNID-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C25H22ClN3O4S/c1-16-4-5-17(15-28-16)23(30)21-14-19(26)8-11-22(21)29-34(31,32)20-9-6-18(7-10-20)25(2,3)24-27-12-13-33-24/h4-15,29H,1-3H3 |
PubChem CID | 59788732 |
ChEMBL | CHEMBL3716682 |
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 |
---|---|---|---|---|---|
522095 | C-C chemokine receptor type 9 | P51686 | CCR9 | Homo sapiens (Human) | 369 |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417