EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C27H32N4O3S |
| Net Charge | 0 |
| Average Mass | 492.645 |
| Monoisotopic Mass | 492.21951 |
| SMILES | COc1ccccc1N1CCN(C(=O)C2CCC(Cn3c(=S)nc4ccccc4c3=O)CC2)CC1 |
| InChI | InChI=1S/C27H32N4O3S/c1-34-24-9-5-4-8-23(24)29-14-16-30(17-15-29)25(32)20-12-10-19(11-13-20)18-31-26(33)21-6-2-3-7-22(21)28-27(31)35/h2-9,19-20H,10-18H2,1H3,(H,28,35) |
| InChIKey | JPBWSFGLZWQGEZ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-[[4-[[4-(2-methoxyphenyl)-1-piperazinyl]-oxomethyl]cyclohexyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one (CHEBI:112396) is a piperazines (CHEBI:26144) |
| Manual Xrefs | Databases |
|---|---|
| LSM-23808 | LINCS |