EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H21N5O3 |
| Net Charge | 0 |
| Average Mass | 415.453 |
| Monoisotopic Mass | 415.16444 |
| SMILES | CC1(C)C2=[N+]([O-])c3cc4nccnc4cc3C2=C[C@@]23NC(=O)[C@]4(CCCN4C2=O)C[C@@H]13 |
| InChI | InChI=1S/C23H21N5O3/c1-21(2)17-11-22-4-3-7-27(22)20(30)23(17,26-19(22)29)10-13-12-8-14-15(25-6-5-24-14)9-16(12)28(31)18(13)21/h5-6,8-10,17H,3-4,7,11H2,1-2H3,(H,26,29)/t17-,22-,23-/m0/s1 |
| InChIKey | UFNNJOBJZWLTSB-RTFZILSDSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-37146 (CHEBI:125602) is a isoquinolines (CHEBI:24922) |
| Manual Xrefs | Databases |
|---|---|
| LSM-37146 | LINCS |