EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C23H21F3N6O2S |
| Net Charge | 0 |
| Average Mass | 502.522 |
| Monoisotopic Mass | 502.13988 |
| SMILES | N#Cc1ncc(N2C(=O)C3(CCC3)N(c3ccc(OC4CCNCC4)nc3)C2=S)cc1C(F)(F)F |
| InChI | InChI=1S/C23H21F3N6O2S/c24-23(25,26)17-10-15(13-29-18(17)11-27)31-20(33)22(6-1-7-22)32(21(31)35)14-2-3-19(30-12-14)34-16-4-8-28-9-5-16/h2-3,10,12-13,16,28H,1,4-9H2 |
| InChIKey | OUEHJEYKNYQVRC-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Roles: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). 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) |
| trc-253 (CHEBI:758587) has role antineoplastic agent (CHEBI:35610) |
| trc-253 (CHEBI:758587) is a α-amino acid (CHEBI:33704) |
| Synonyms | Source |
|---|---|
| Trc 253 | ChEMBL |
| Trc-253 | ChEMBL |
| TRC253 | ChEMBL |
| Citations |
|---|