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Name | CHEMBL253733 |
---|---|
Molecular formula | C27H36F4N4O2 |
IUPAC name | 1-[1-[[9-(2,2-dimethylpropanoyl)-9-azabicyclo[3.3.1]non-2-en-3-yl]methyl]piperidin-4-yl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea |
Molecular weight | 524.605 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 2 |
XlogP | 4.4 |
Synonyms | 1-(3-fluoro-5-(trifluoromethyl)phenyl)-3-(1-((9-pivaloyl-9-aza-bicyclo[3.3.1]non-2-en-3-yl)methyl)piperidin-4-yl)urea BDBM50227861 |
Inchi Key | BWCFXDSZIVLIME-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C27H36F4N4O2/c1-26(2,3)24(36)35-22-5-4-6-23(35)12-17(11-22)16-34-9-7-20(8-10-34)32-25(37)33-21-14-18(27(29,30)31)13-19(28)15-21/h11,13-15,20,22-23H,4-10,12,16H2,1-3H3,(H2,32,33,37) |
PubChem CID | 44446451 |
ChEMBL | CHEMBL253733 |
IUPHAR | N/A |
BindingDB | 50227861 |
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 |
---|---|---|---|---|---|
34317 | C-X-C chemokine receptor type 3 | P49682 | CXCR3 | Homo sapiens (Human) | 368 |
34318 | C-X-C chemokine receptor type 3 | O88410 | Cxcr3 | Mus musculus (Mouse) | 367 |
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