EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C30H42N2O9.HCl |
| Net Charge | 0 |
| Average Mass | 611.132 |
| Monoisotopic Mass | 610.26571 |
| SMILES | CCc1c(O)cc(O)c(C(=O)c2ccc(OCCN3CCOCC3)c(OC)c2)c1CC(=O)N(CCOC)CCOC.Cl |
| InChI | InChI=1S/C30H42N2O9.ClH/c1-5-22-23(19-28(35)32(11-13-37-2)12-14-38-3)29(25(34)20-24(22)33)30(36)21-6-7-26(27(18-21)39-4)41-17-10-31-8-15-40-16-9-31;/h6-7,18,20,33-34H,5,8-17,19H2,1-4H3;1H |
| InChIKey | CKMGYWHSTADSIG-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| kw-2478 (CHEBI:756798) has role antineoplastic agent (CHEBI:35610) |
| kw-2478 (CHEBI:756798) is a benzophenones (CHEBI:22726) |
| Synonyms | Source |
|---|---|
| Kw 2478 | ChEMBL |
| Kw-2478 | ChEMBL |