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CHEBI:234042 - DS16570511
| Formula | C30H25Cl2N3O4 |
| Net Charge | 0 |
| Average Mass | 562.453 |
| Monoisotopic Mass | 561.12221 |
| SMILES | Cc1onc(-c2c(Cl)cccc2Cl)c1CNc1cccc(C(=O)c2cn(CCCC(=O)O)c3ccccc23)c1 |
| InChI | InChI=1S/C30H25Cl2N3O4/c1-18-22(29(34-39-18)28-24(31)10-5-11-25(28)32)16-33-20-8-4-7-19(15-20)30(38)23-17-35(14-6-13-27(36)37)26-12-3-2-9-21(23)26/h2-5,7-12,15,17,33H,6,13-14,16H2,1H3,(H,36,37) |
| InChIKey | VIWYGRDFHWYDRW-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Roles: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | mitochondrial calcium uniporter inhibitor Any inhibitor of mitochondrial calcium uniporter. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| DS16570511 (CHEBI:234042) has role mitochondrial calcium uniporter inhibitor (CHEBI:194181) |
| DS16570511 (CHEBI:234042) is a aromatic ketone (CHEBI:76224) |
| DS16570511 (CHEBI:234042) is a dichlorobenzene (CHEBI:23697) |
| DS16570511 (CHEBI:234042) is a indolyl carboxylic acid (CHEBI:46867) |
| DS16570511 (CHEBI:234042) is a isoxazoles (CHEBI:55373) |
| DS16570511 (CHEBI:234042) is a monocarboxylic acid (CHEBI:25384) |
| DS16570511 (CHEBI:234042) is a secondary amino compound (CHEBI:50995) |
| DS16570511 (CHEBI:234042) is a substituted aniline (CHEBI:48975) |
| IUPAC Name |
|---|
| 4-{3-[3-({[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methyl}amino)benzoyl]-1H-indol-1-yl}butanoic acid |
| Synonyms | Source |
|---|---|
| 4-[3-[3-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]benzoyl]indol-1-yl]butanoic acid | SUBMITTER |
| DS 16570511 | ChEBI |
| DS-16570511 | ChEBI |
| Registry Numbers | Sources |
|---|---|
| CAS:2446154-84-1 | ChEBI |
| Citations |
|---|