EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | HCl.C15H15FIN3O3 |
| Net Charge | 0 |
| Average Mass | 467.666 |
| Monoisotopic Mass | 466.99090 |
| SMILES | Cl.O=C(NC[C@H](O)CO)c1ccncc1Nc1ccc(I)cc1F |
| InChI | InChI=1S/C15H15FIN3O3.ClH/c16-12-5-9(17)1-2-13(12)20-14-7-18-4-3-11(14)15(23)19-6-10(22)8-21;/h1-5,7,10,20-22H,6,8H2,(H,19,23);1H/t10-;/m0./s1 |
| InChIKey | HIEXZUXKTABHCP-PPHPATTJSA-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) |
| pimasertib hydrochloride (CHEBI:757134) has role antineoplastic agent (CHEBI:35610) |
| pimasertib hydrochloride (CHEBI:757134) is a aromatic carboxylic acid (CHEBI:33859) |
| pimasertib hydrochloride (CHEBI:757134) is a pyridinemonocarboxylic acid (CHEBI:26420) |
| Synonyms | Source |
|---|---|
| EMD 1036950 | ChEMBL |
| EMD-1036950 | ChEMBL |
| MSC-1936369B | ChEMBL |
| Pimasertib hydrochloride | ChEMBL |