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CHEBI:119486 - efavirenz
| Formula | C14H9ClF3NO2 |
| Net Charge | 0 |
| Average Mass | 315.678 |
| Monoisotopic Mass | 315.02739 |
| SMILES | O=C1Nc2ccc(Cl)cc2[C@@](C#CC2CC2)(C(F)(F)F)O1 |
| InChI | InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1 |
| InChIKey | XPOQHMRABVBWPR-ZDUSSCGKSA-N |
| Wikipedia |
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| Roles Classification |
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| Biological Roles: | antiviral drug A substance used in the prophylaxis or therapy of virus diseases. HIV-1 reverse transcriptase inhibitor An entity which inhibits the activity of HIV-1 reverse transcriptase. |
| Application: | antiviral drug A substance used in the prophylaxis or therapy of virus diseases. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| efavirenz (CHEBI:119486) has role antiviral drug (CHEBI:36044) |
| efavirenz (CHEBI:119486) has role HIV-1 reverse transcriptase inhibitor (CHEBI:53756) |
| efavirenz (CHEBI:119486) is a acetylenic compound (CHEBI:73474) |
| efavirenz (CHEBI:119486) is a benzoxazine (CHEBI:46969) |
| efavirenz (CHEBI:119486) is a cyclopropanes (CHEBI:51454) |
| efavirenz (CHEBI:119486) is a organochlorine compound (CHEBI:36683) |
| efavirenz (CHEBI:119486) is a organofluorine compound (CHEBI:37143) |
| IUPAC Name |
|---|
| (4S)-6-chloro-4-(cyclopropylethynyl)-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazin-2-one |
| Synonyms | Source |
|---|---|
| 6-chloro-4-(2-cyclopropyl-1-ethynyl)-4-trifluoromethyl-(4S)-1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one | ChEMBL |
| (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE | PDBeChem |
| Efavirenz | KEGG COMPOUND |
| (S)-6-chloro-4-(cyclopropylethynyl)-1,4-dihydro-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one | ChemIDplus |
| (S)-6-chloro-4-cyclopropylethynyl-4-trifluoromethyl-1,4-dihydro-benzo[d][1,3]oxazin-2-one | ChEMBL |
| Citations |
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