EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C41H45F3N8O5S |
| Net Charge | 0 |
| Average Mass | 818.923 |
| Monoisotopic Mass | 818.31857 |
| SMILES | CCc1cc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)C2(C)C)ccc1OCCN1CCN(CC(=O)Nc2cccc(NC3CCC(=O)NC3=O)c2)[C@H](C)C1 |
| InChI | InChI=1S/C41H45F3N8O5S/c1-5-26-19-31(52-39(58)51(38(56)40(52,3)4)30-10-9-27(22-45)32(21-30)41(42,43)44)11-13-34(26)57-18-17-49-15-16-50(25(2)23-49)24-36(54)47-29-8-6-7-28(20-29)46-33-12-14-35(53)48-37(33)55/h6-11,13,19-21,25,33,46H,5,12,14-18,23-24H2,1-4H3,(H,47,54)(H,48,53,55)/t25-,33?/m1/s1 |
| InChIKey | YUVGVJYLOFTILT-NHYGQJMQSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| BMS-986365 (CHEBI:747790) is a organic molecular entity (CHEBI:50860) |
| Synonym | Source |
|---|---|
| CC-94676 | CAS |
| Registry Numbers | Sources |
|---|---|
| CAS:2446928-30-7 | CAS |