EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C26H36F3N5O5 |
| Net Charge | 0 |
| Average Mass | 555.598 |
| Monoisotopic Mass | 555.26685 |
| SMILES | CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3c(C)noc3C)ccc2OC[C@H](C)N(CCC(F)(F)F)C[C@H]1C |
| InChI | InChI=1S/C26H36F3N5O5/c1-15-12-34(10-9-26(27,28)29)16(2)14-38-21-8-7-19(11-20(21)24(35)33(5)13-22(15)37-6)30-25(36)31-23-17(3)32-39-18(23)4/h7-8,11,15-16,22H,9-10,12-14H2,1-6H3,(H2,30,31,36)/t15-,16+,22+/m1/s1 |
| InChIKey | PCJFVZCPKBPEAR-VVBPWWLESA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea (CHEBI:97566) is a azamacrocycle (CHEBI:52898) |
| 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea (CHEBI:97566) is a lactam (CHEBI:24995) |
| Manual Xrefs | Databases |
|---|---|
| LSM-8945 | LINCS |