EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C27H29N3O3S |
| Net Charge | 0 |
| Average Mass | 475.614 |
| Monoisotopic Mass | 475.19296 |
| SMILES | CN(C)C(=O)c1cccc(-c2ccc(C3[C@H]4CNC[C@@H]3N4S(=O)(=O)Cc3ccccc3)cc2)c1 |
| InChI | InChI=1S/C27H29N3O3S/c1-29(2)27(31)23-10-6-9-22(15-23)20-11-13-21(14-12-20)26-24-16-28-17-25(26)30(24)34(32,33)18-19-7-4-3-5-8-19/h3-15,24-26,28H,16-18H2,1-2H3/t24-,25+,26? |
| InChIKey | SRXNJNIQTKAFIS-IQCGEYIDSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N,N-dimethyl-3-[4-[(1R,5S)-6-(phenylmethyl)sulfonyl-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzamide (CHEBI:127083) is a piperidines (CHEBI:26151) |
| Manual Xrefs | Databases |
|---|---|
| LSM-38646 | LINCS |