EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C26H33FN4O3S |
| Net Charge | 0 |
| Average Mass | 500.640 |
| Monoisotopic Mass | 500.22574 |
| SMILES | CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(C(=O)c2ccc(F)cc2)cs1)C1CCCCC1 |
| InChI | InChI=1S/C26H33FN4O3S/c1-16(28-2)24(33)30-22(17-7-4-3-5-8-17)26(34)31-14-6-9-21(31)25-29-20(15-35-25)23(32)18-10-12-19(27)13-11-18/h10-13,15-17,21-22,28H,3-9,14H2,1-2H3,(H,30,33)/t16-,21-,22-/m0/s1 |
| InChIKey | UFPFGVNKHCLJJO-SSKFGXFMSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Applications: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. antifibrotic agent Any agent which acts to reduce fibrosis. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| lcl-161 (CHEBI:755042) has role antifibrotic agent (CHEBI:233423) |
| lcl-161 (CHEBI:755042) has role antineoplastic agent (CHEBI:35610) |
| lcl-161 (CHEBI:755042) is a dipeptide (CHEBI:46761) |
| Synonyms | Source |
|---|---|
| LCL161 | ChEMBL |
| Nvp-lcl 161 | ChEMBL |
| Citations |
|---|