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CHEBI:756968 - azd-5991
| Formula | C35H34ClN5O3S2 |
| Net Charge | 0 |
| Average Mass | 672.276 |
| Monoisotopic Mass | 671.17916 |
| SMILES | Cc1c2c(nn1C)CSCc1cc(n(C)n1)CSc1cc(c3ccccc3c1)OCCCc1c(C(=O)O)n(C)c3c-2c(Cl)ccc13 |
| InChI | InChI=1S/C35H34ClN5O3S2/c1-20-31-29(38-40(20)3)19-45-17-22-15-23(41(4)37-22)18-46-24-14-21-8-5-6-9-25(21)30(16-24)44-13-7-10-26-27-11-12-28(36)32(31)33(27)39(2)34(26)35(42)43/h5-6,8-9,11-12,14-16H,7,10,13,17-19H2,1-4H3,(H,42,43) |
| InChIKey | KBQCEQAXHPIRTF-UHFFFAOYSA-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) |
| azd-5991 (CHEBI:756968) has role antineoplastic agent (CHEBI:35610) |
| azd-5991 (CHEBI:756968) is a indolyl carboxylic acid (CHEBI:46867) |
| Synonyms | Source |
|---|---|
| Azd 5991 | ChEMBL |
| AZD-5991 | ChEMBL |
| AZD5991 | ChEMBL |
| Citations |
|---|