EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C28H36N4O6S2 |
| Net Charge | 0 |
| Average Mass | 588.752 |
| Monoisotopic Mass | 588.20763 |
| SMILES | C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc3c(c2)C(=NO)c2cc(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)ccc2C3=NO)C1 |
| InChI | InChI=1S/C28H36N4O6S2/c1-17-9-18(2)14-31(13-17)39(35,36)21-5-7-23-25(11-21)28(30-34)26-12-22(6-8-24(26)27(23)29-33)40(37,38)32-15-19(3)10-20(4)16-32/h5-8,11-12,17-20,33-34H,9-10,13-16H2,1-4H3/b29-27-,30-28-/t17-,18+,19-,20+ |
| InChIKey | GAPRVZKWPDRAJA-QOPKLXIQSA-N |
| Roles Classification |
|---|
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| tegavivint (CHEBI:755656) has role antineoplastic agent (CHEBI:35610) |
| tegavivint (CHEBI:755656) is a anthracenes (CHEBI:46955) |
| INN | Source |
|---|---|
| tegavivint | WHO MedNet |
| Synonym | Source |
|---|---|
| BC-2059 | ChEMBL |
| Citations |
|---|