EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C29H28FN7O3 |
| Net Charge | 0 |
| Average Mass | 541.587 |
| Monoisotopic Mass | 541.22377 |
| SMILES | CC(C)(C)NC(=O)C(c1cnc2ccccc12)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1cccc(O)c1 |
| InChI | InChI=1S/C29H28FN7O3/c1-29(2,3)32-28(40)26(23-16-31-24-10-5-4-9-22(23)24)37(20-7-6-8-21(38)15-20)25(39)17-36-34-27(33-35-36)18-11-13-19(30)14-12-18/h4-16,26,31,38H,17H2,1-3H3,(H,32,40) |
| InChIKey | UEKYUOSUPQTNRH-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-tert-butyl-2-(N-[2-[5-(4-fluorophenyl)-2-tetrazolyl]-1-oxoethyl]-3-hydroxyanilino)-2-(1H-indol-3-yl)acetamide (CHEBI:123201) is a tetrazoles (CHEBI:35689) |
| Manual Xrefs | Databases |
|---|---|
| LSM-34643 | LINCS |