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Name | CHEMBL2315925 |
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Molecular formula | C24H27F3N6O2S |
IUPAC name | N-[1-[4-hydroxy-4-(2-methyl-1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide |
Molecular weight | 520.575 |
Hydrogen bond acceptor | 11 |
Hydrogen bond donor | 3 |
XlogP | 3.4 |
Synonyms | SCHEMBL9999076 BDBM50425702 CHEMBL3704095 US9062048, 79 AFSXROFWADTOSY-UHFFFAOYSA-N [ Show all ] |
Inchi Key | AFSXROFWADTOSY-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C24H27F3N6O2S/c1-14-28-9-20(36-14)23(35)6-4-17(5-7-23)33-11-16(12-33)32-21(34)10-29-22-18-8-15(24(25,26)27)2-3-19(18)30-13-31-22/h2-3,8-9,13,16-17,35H,4-7,10-12H2,1H3,(H,32,34)(H,29,30,31) |
PubChem CID | 68004012 |
ChEMBL | CHEMBL3704095 |
IUPHAR | N/A |
BindingDB | 163451 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
459261 | C-C chemokine receptor-like 2 | O00421 | CCRL2 | Homo sapiens (Human) | 344 |
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