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COVID-19 Ontology
Last uploaded:
February 25, 2021
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| Preferred Name | zafirlukast | |
| Synonyms |
zafirlukast cyclopentyl 3-(2-methoxy-4-((o-tolylsulfonyl)carbamoyl)benzyl)-1-methylindole-5-carbamate 4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol-3-ylmethyl)-3-methoxy-N-o-tolylsulfonylbenzamide Accolate cyclopentyl 3-[2-methoxy-4-(2-methylphenylsulfonylcarbamoyl)benzyl]-1-methyl-1H-indol-5-ylcarbamate |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_10100 |
|
| alternative_term |
cyclopentyl 3-[2-methoxy-4-(2-methylphenylsulfonylcarbamoyl)benzyl]-1-methyl-1H-indol-5-ylcarbamate
|
|
| charge |
0
|
|
| database_cross_reference |
PMID:22159431 KEGG:C07206 Drug_Central:2855 KEGG:D00411 PMID:24258705 CAS:107753-78-6 PMID:22614107 PMID:19331987 HMDB:HMDB0014689 PMID:11888331 DrugBank:DB00549 Wikipedia:Zafirlukast LINCS:LSM-5792 PMID:25834030 PMID:25798389 Reaxys:3641829 Beilstein:3641829
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|
| DrugsinVirtualScreening |
true
|
|
| formula |
C31H33N3O6S
|
|
| fromArticle |
true
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
zafirlukast cyclopentyl 3-(2-methoxy-4-((o-tolylsulfonyl)carbamoyl)benzyl)-1-methylindole-5-carbamate 4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol-3-ylmethyl)-3-methoxy-N-o-tolylsulfonylbenzamide Accolate
|
|
| id |
CHEBI:10100
|
|
| imported from | ||
| in_subset | ||
| inchi |
InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)
|
|
| inchikey |
YEEZWCHGZNKEEK-UHFFFAOYSA-N
|
|
| label |
zafirlukast
|
|
| mass |
575.677
|
|
| monoisotopicmass |
575.20901
|
|
| notation |
CHEBI:10100
|
|
| preferred label |
zafirlukast
|
|
| prefLabel |
zafirlukast
|
|
| see also | ||
| smiles |
C1=CC=2N(C=C(C2C=C1NC(OC3CCCC3)=O)CC4=CC=C(C(NS(C5=CC=CC=C5C)(=O)=O)=O)C=C4OC)C
|
|
| subClassOf |
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