EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H18ClN5O2 |
| Net Charge | 0 |
| Average Mass | 431.883 |
| Monoisotopic Mass | 431.11490 |
| SMILES | C#Cc1cc(N2CCN(C(=O)c3ccoc3)CC2)n2nc(-c3cccc(Cl)c3)cc2n1 |
| InChI | InChI=1S/C23H18ClN5O2/c1-2-19-13-22(27-7-9-28(10-8-27)23(30)17-6-11-31-15-17)29-21(25-19)14-20(26-29)16-4-3-5-18(24)12-16/h1,3-6,11-15H,7-10H2 |
| InChIKey | HIHRDBPZNHRLGO-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) |
| [4-[2-(3-chlorophenyl)-5-ethynyl-7-pyrazolo[1,5-a]pyrimidinyl]-1-piperazinyl]-(3-furanyl)methanone (CHEBI:92708) is a N-arylpiperazine (CHEBI:46848) |
| Manual Xrefs | Databases |
|---|---|
| LSM-2893 | LINCS |