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CHEBI:756938 - xl-888
| Formula | C29H37N5O3 |
| Net Charge | 0 |
| Average Mass | 503.647 |
| Monoisotopic Mass | 503.28964 |
| SMILES | CC[C@@H](C)Nc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3c2ccc(C(=O)C3CC3)cn2)c(C)cc1C(N)=O |
| InChI | InChI=1S/C29H37N5O3/c1-4-17(3)32-25-14-23(16(2)11-24(25)28(30)36)29(37)33-20-12-21-8-9-22(13-20)34(21)26-10-7-19(15-31-26)27(35)18-5-6-18/h7,10-11,14-15,17-18,20-22,32H,4-6,8-9,12-13H2,1-3H3,(H2,30,36)(H,33,37)/t17-,20-,21+,22-/m1/s1 |
| InChIKey | LHGWWAFKVCIILM-HLRQEUIKSA-N |
| Roles Classification |
|---|
| Biological Role: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| xl-888 (CHEBI:756938) has role antineoplastic agent (CHEBI:35610) |
| xl-888 (CHEBI:756938) is a tropane alkaloid (CHEBI:37332) |
| Synonyms | Source |
|---|---|
| Exel-4888 | ChEMBL |
| Xl-888 | ChEMBL |
| Xl888 | ChEMBL |