EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C27H32N6O |
| Net Charge | 0 |
| Average Mass | 456.594 |
| Monoisotopic Mass | 456.26376 |
| SMILES | CCNc1cc(NC2CCC(O)CC2)nc(Nc2ccc3c(ccn3Cc3ccccc3)c2)n1 |
| InChI | InChI=1S/C27H32N6O/c1-2-28-25-17-26(29-21-8-11-23(34)12-9-21)32-27(31-25)30-22-10-13-24-20(16-22)14-15-33(24)18-19-6-4-3-5-7-19/h3-7,10,13-17,21,23,34H,2,8-9,11-12,18H2,1H3,(H3,28,29,30,31,32) |
| InChIKey | YVXCDLCJCIDFHE-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-[[6-(ethylamino)-2-[[1-(phenylmethyl)-5-indolyl]amino]-4-pyrimidinyl]amino]-1-cyclohexanol (CHEBI:91456) is a indoles (CHEBI:24828) |
| Manual Xrefs | Databases |
|---|---|
| LSM-1213 | LINCS |