EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C25H27N5O3 |
| Net Charge | 0 |
| Average Mass | 445.523 |
| Monoisotopic Mass | 445.21139 |
| SMILES | CCC(=O)N1Cc2cc(C(=O)N(C)C)nc(-c3cccc(-c4cncnc4)c3)c2[C@H]1CCO |
| InChI | InChI=1S/C25H27N5O3/c1-4-22(32)30-14-18-11-20(25(33)29(2)3)28-24(23(18)21(30)8-9-31)17-7-5-6-16(10-17)19-12-26-15-27-13-19/h5-7,10-13,15,21,31H,4,8-9,14H2,1-3H3/t21-/m1/s1 |
| InChIKey | YAJZZTSJZGKQMS-OAQYLSRUSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (3R)-3-(2-hydroxyethyl)-N,N-dimethyl-2-(1-oxopropyl)-4-[3-(5-pyrimidinyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:128344) is a pyrimidines (CHEBI:39447) |
| Manual Xrefs | Databases |
|---|---|
| LSM-39899 | LINCS |