EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C3H6O3.C24H31N3O3 |
| Net Charge | 0 |
| Average Mass | 499.608 |
| Monoisotopic Mass | 499.26824 |
| SMILES | CC(C)c1cc(C(=O)N2Cc3ccc(CN4CCN(C)CC4)cc3C2)c(O)cc1O.[H][C@@](C)(O)C(=O)O |
| InChI | InChI=1S/C24H31N3O3.C3H6O3/c1-16(2)20-11-21(23(29)12-22(20)28)24(30)27-14-18-5-4-17(10-19(18)15-27)13-26-8-6-25(3)7-9-26;1-2(4)3(5)6/h4-5,10-12,16,28-29H,6-9,13-15H2,1-3H3;2,4H,1H3,(H,5,6)/t;2-/m.0/s1 |
| InChIKey | VYRWEWHOAMGLLW-WNQIDUERSA-N |
| Roles Classification |
|---|
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| onalespib lactate (CHEBI:755282) has role antineoplastic agent (CHEBI:35610) |
| onalespib lactate (CHEBI:755282) is a salicylamides (CHEBI:53443) |
| Synonyms | Source |
|---|---|
| AT-13387 LACTATE | ChEMBL |
| ATI-13387A | ChEMBL |
| ATI13387A | ChEMBL |
| ATI-13387AU | ChEMBL |
| ATI13387AU | ChEMBL |
| Onalespib lactate | ChEMBL |