EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C29H33FN6O5 |
| Net Charge | 0 |
| Average Mass | 564.618 |
| Monoisotopic Mass | 564.24965 |
| SMILES | CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccc(F)cc3)ccc2OC[C@@H](C)N(C(=O)c2cnccn2)C[C@H]1C |
| InChI | InChI=1S/C29H33FN6O5/c1-18-15-36(28(38)24-14-31-11-12-32-24)19(2)17-41-25-10-9-22(13-23(25)27(37)35(3)16-26(18)40-4)34-29(39)33-21-7-5-20(30)6-8-21/h5-14,18-19,26H,15-17H2,1-4H3,(H2,33,34,39)/t18-,19-,26-/m1/s1 |
| InChIKey | SKVAANJMWULWKE-LJKQEARRSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-(4-fluorophenyl)-3-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[oxo(2-pyrazinyl)methyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea (CHEBI:115175) is a azamacrocycle (CHEBI:52898) |
| 1-(4-fluorophenyl)-3-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[oxo(2-pyrazinyl)methyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea (CHEBI:115175) is a lactam (CHEBI:24995) |
| Manual Xrefs | Databases |
|---|---|
| LSM-26635 | LINCS |