EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C29H39N7O3S |
| Net Charge | 0 |
| Average Mass | 565.744 |
| Monoisotopic Mass | 565.28351 |
| SMILES | COc1cc(N2CCC(N(C)C)CC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)C(C)C)n1)CCN2 |
| InChI | InChI=1S/C29H39N7O3S/c1-19(2)40(37,38)26-9-7-6-8-24(26)31-28-22-12-15-30-27(22)33-29(34-28)32-23-11-10-21(18-25(23)39-5)36-16-13-20(14-17-36)35(3)4/h6-11,18-20H,12-17H2,1-5H3,(H3,30,31,32,33,34) |
| InChIKey | LDTJJGGYLQQRSP-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| ficonalkib (CHEBI:759167) has role antineoplastic agent (CHEBI:35610) |
| ficonalkib (CHEBI:759167) is a piperidines (CHEBI:26151) |
| INN | Source |
|---|---|
| ficonalkib | WHO MedNet |