EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C6H10O4.C29H32ClF4N7O2 |
| Net Charge | 0 |
| Average Mass | 768.209 |
| Monoisotopic Mass | 767.28212 |
| SMILES | C=CC(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3c(F)c(-c4nc(N)cc(C)c4C(F)(F)F)c(Cl)cc23)[C@@H](C)C1.O=C(O)CCCCC(=O)O |
| InChI | InChI=1S/C29H32ClF4N7O2.C6H10O4/c1-5-21(42)40-9-10-41(16(3)13-40)27-18-12-19(30)22(26-23(29(32,33)34)15(2)11-20(35)36-26)24(31)25(18)37-28(38-27)43-14-17-7-6-8-39(17)4;7-5(8)3-1-2-4-6(9)10/h5,11-12,16-17H,1,6-10,13-14H2,2-4H3,(H2,35,36);1-4H2,(H,7,8)(H,9,10)/t16-,17-;/m0./s1 |
| InChIKey | KUWNSHZGOCXVAI-QJHJCNPRSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| divarasib adipate (CHEBI:759301) has role antineoplastic agent (CHEBI:35610) |
| divarasib adipate (CHEBI:759301) is a N-arylpiperazine (CHEBI:46848) |
| Synonyms | Source |
|---|---|
| Divarasib adipate | ChEMBL |
| GDC-6036 ADIPATE | ChEMBL |
| RG-6330 ADIPATE | ChEMBL |
| RG6330 ADIPATE | ChEMBL |
| RO-7435846 ADIPATE | ChEMBL |
| RO7435846 ADIPATE | ChEMBL |