EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C29H34N12O |
| Net Charge | 0 |
| Average Mass | 566.674 |
| Monoisotopic Mass | 566.29785 |
| SMILES | CN1CCN(Cc2ccc(-c3cnc(N4CCO[C@H](Cn5nnc6ncc(-c7cnn(C)c7)nc65)C4)nc3)cc2)CC1 |
| InChI | InChI=1S/C29H34N12O/c1-37-7-9-39(10-8-37)17-21-3-5-22(6-4-21)23-13-31-29(32-14-23)40-11-12-42-25(19-40)20-41-28-27(35-36-41)30-16-26(34-28)24-15-33-38(2)18-24/h3-6,13-16,18,25H,7-12,17,19-20H2,1-2H3/t25-/m0/s1 |
| InChIKey | PQJGYYZYYMVBDF-VWLOTQADSA-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) |
| vabametkib (CHEBI:756006) has role antineoplastic agent (CHEBI:35610) |
| vabametkib (CHEBI:756006) is a aromatic amine (CHEBI:33860) |
| INN | Source |
|---|---|
| vabametkib | WHO MedNet |