EMBL-EBI | Chemical Biology | ChEBI
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| Formula | Na.C25H25N8O8PS.Na |
| Net Charge | 0 |
| Average Mass | 674.544 |
| Monoisotopic Mass | 674.10491 |
| SMILES | Cn1ccc(S(=O)(=O)N2CCC[C@@H](Nc3nccc(-c4c(-c5cccc(OCOP(=O)([O-])[O-])c5)nc5occn45)n3)C2)n1.[Na+].[Na+] |
| InChI | InChI=1S/C25H27N8O8PS.2Na/c1-31-11-8-21(30-31)43(37,38)32-10-3-5-18(15-32)27-24-26-9-7-20(28-24)23-22(29-25-33(23)12-13-39-25)17-4-2-6-19(14-17)40-16-41-42(34,35)36;;/h2,4,6-9,11-14,18H,3,5,10,15-16H2,1H3,(H,26,27,28)(H2,34,35,36);;/q;2*+1/p-2/t18-;;/m1../s1 |
| InChIKey | HXINDCTZKGGRDE-JPKZNVRTSA-L |
| Roles Classification |
|---|
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| arq-736 (CHEBI:759120) has role antineoplastic agent (CHEBI:35610) |
| arq-736 (CHEBI:759120) is a imidazoles (CHEBI:24780) |
| Synonyms | Source |
|---|---|
| Arq 736 | ChEMBL |
| ARQ-736 | ChEMBL |