EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C24H21ClN2O5 |
| Net Charge | 0 |
| Average Mass | 452.894 |
| Monoisotopic Mass | 452.11390 |
| SMILES | COC(=O)COc1ccc(Cl)cc1C1Nc2ccccc2C(=O)N1c1ccc(OC)cc1 |
| InChI | InChI=1S/C24H21ClN2O5/c1-30-17-10-8-16(9-11-17)27-23(26-20-6-4-3-5-18(20)24(27)29)19-13-15(25)7-12-21(19)32-14-22(28)31-2/h3-13,23,26H,14H2,1-2H3 |
| InChIKey | LVQVEKLXWORDSL-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[4-chloro-2-[3-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetic acid methyl ester (CHEBI:105544) is a monocarboxylic acid (CHEBI:25384) |
| Manual Xrefs | Databases |
|---|---|
| LSM-16907 | LINCS |