EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C24H23F3N6S |
| Net Charge | 0 |
| Average Mass | 484.551 |
| Monoisotopic Mass | 484.16570 |
| SMILES | Cc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)ccc2nc(C#N)cc12 |
| InChI | InChI=1S/C24H23F3N6S/c1-14-15(2-3-21-19(14)8-17(11-28)31-21)12-33-6-4-16(5-7-33)32-22-20-9-18(10-24(25,26)27)34-23(20)30-13-29-22/h2-3,8-9,13,16,31H,4-7,10,12H2,1H3,(H,29,30,32) |
| InChIKey | DZACSLYTXLZAAF-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Biological Role: | inhibitor A substance that diminishes the rate of a chemical reaction. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| MI-463 (CHEBI:232862) has role inhibitor (CHEBI:35222) |
| MI-463 (CHEBI:232862) is a organic molecular entity (CHEBI:50860) |
| IUPAC Name |
|---|
| 4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1H-indole-2-carbonitrile |
| Citations |
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