EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H13ClN6OS |
| Net Charge | 0 |
| Average Mass | 396.863 |
| Monoisotopic Mass | 396.05601 |
| SMILES | N#Cc1c(N)nc2c(c1N)=C(N)SC1=NC(=O)CC(c3ccccc3Cl)C=21 |
| InChI | InChI=1S/C18H13ClN6OS/c19-10-4-2-1-3-7(10)8-5-11(26)24-18-12(8)15-13(17(23)27-18)14(21)9(6-20)16(22)25-15/h1-4,8H,5,21,23H2,(H2,22,25) |
| InChIKey | DDGBHJLJLPZPIM-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-24360 (CHEBI:112950) is a aminopyridine (CHEBI:38207) |
| Manual Xrefs | Databases |
|---|---|
| LSM-24360 | LINCS |