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Name | CHEMBL3263272 |
---|---|
Molecular formula | C23H29F3N2O5 |
IUPAC name | [(3aS,5S,6aR)-5-[[(3S,4S)-3-methoxyoxan-4-yl]amino]-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazin-3-yl]methanone |
Molecular weight | 470.489 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 1 |
XlogP | 1.9 |
Synonyms | SCHEMBL15320284 ARUZBCPDBNETAH-HTJFHPCASA-N ((3aS,5S,6aR)-5-(((3S,4S)-3-methoxytetrahydro-2H-pyran-4-yl)amino)hexahydro-2H-cyclopenta[b]furan-3a-yl)(6-(trifluoromethyl)-2H-benzo[e][1,3]oxazin-3(4H)-yl)methanone BDBM50011990 |
Inchi Key | ARUZBCPDBNETAH-HTJFHPCASA-N |
Inchi ID | InChI=1S/C23H29F3N2O5/c1-30-19-12-31-6-4-17(19)27-16-9-20-22(10-16,5-7-32-20)21(29)28-11-14-8-15(23(24,25)26)2-3-18(14)33-13-28/h2-3,8,16-17,19-20,27H,4-7,9-13H2,1H3/t16-,17+,19-,20-,22-/m1/s1 |
PubChem CID | 71768900 |
ChEMBL | CHEMBL3263272 |
IUPHAR | N/A |
BindingDB | 50011990 |
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 |
---|---|---|---|---|---|
12789 | C-C chemokine receptor type 2 | P41597 | CCR2 | Homo sapiens (Human) | 374 |
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