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CHEBI:748519 - plevitrexed
| Formula | C26H25FN8O4 |
| Net Charge | 0 |
| Average Mass | 532.536 |
| Monoisotopic Mass | 532.19828 |
| SMILES | C#CCN(Cc1cc2c(O)nc(C)nc2cc1C)c1ccc(C(=O)N[C@@H](CCc2nnnn2)C(=O)O)c(F)c1 |
| InChI | InChI=1S/C26H25FN8O4/c1-4-9-35(13-16-11-19-22(10-14(16)2)28-15(3)29-25(19)37)17-5-6-18(20(27)12-17)24(36)30-21(26(38)39)7-8-23-31-33-34-32-23/h1,5-6,10-12,21H,7-9,13H2,2-3H3,(H,30,36)(H,38,39)(H,28,29,37)(H,31,32,33,34)/t21-/m0/s1 |
| InChIKey | IEJSCSAMMLUINT-NRFANRHFSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| plevitrexed (CHEBI:748519) has role antineoplastic agent (CHEBI:35610) |
| plevitrexed (CHEBI:748519) is a N-acylglycine (CHEBI:16180) |
| INN | Source |
|---|---|
| plevitrexed | WHO MedNet |
| Synonyms | Source |
|---|---|
| Bgc-9331 | ChEMBL |
| NSC-696259 | ChEMBL |
| ZD-9331 | ChEMBL |
| ZD9331 | ChEMBL |
| Citations |
|---|