About: methyl 4,5-dibromo-1H-pyrrole-2-carboxylate

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About: methyl 4,5-dibromo-1H-pyrrole-2-carboxylate Goto Sponge NotDistinct Permalink

An Entity of Type : wikibase:Item, within Data Space : wikidata.demo.openlinksw.com associated with source document(s)

chemical compound

Attributes	Values
rdf:type	Item
description	химическое соединение (ru) chemical compound (en) composé chimique (fr) compositum chemicum (la) chemische Verbindung (de) chemische verbinding (nl) compuestu químicu (ast) хімічна сполука (uk) রাসায়নিক যৌগ (bn)
rdfs:label	methyl 4,5-dibromo-1H-pyrrole-2-carboxylate (en)
skos:prefLabel	methyl 4,5-dibromo-1H-pyrrole-2-carboxylate (en)
name	methyl 4,5-dibromo-1H-pyrrole-2-carboxylate (en)
instance of	wds:Q82067053-F8B8B559-7450-4619-8F73-13FA7FC99B1C
instance of	type of chemical entity
subclass of	wds:Q82067053-C53366E5-0BC8-40B9-BE0E-3567475F639E
subclass of	pyrrole alkaloid
found in taxon	wds:Q82067053-9038D71C-7D7D-47A6-972D-3BF092032FC0
found in taxon	Agelas oroides
UniChem compound ID	wds:Q82067053-1DE63FFF-5CAD-4592-AC1F-0400B8548A56
CAS Registry Number	wds:Q82067053-9D6ADBD0-8E7B-4B76-A0AE-A9DBA33E482A
canonical SMILES	wds:Q82067053-017392DE-0FA3-46C8-814A-29FCA9F9D11E
InChI	wds:Q82067053-F1FA56F2-5381-4E6B-8885-F86234DEB9BE
InChIKey	wds:Q82067053-DC73F24D-2793-4FAA-8D6A-ED75C062F773
chemical formula	wds:Q82067053-A1150B06-A125-4221-B1D9-EFC415AD4AD8
DSSTox substance ID	wds:Q82067053-9C40211D-5B03-4130-847A-3C9DDABBA365
PubChem CID	wds:Q82067053-02345CCA-E837-4FBC-9729-1D31FA80F42C
DSSTOX compound identifier	wds:Q82067053-F0402D5A-110E-4503-9283-E87F885056C0
PubChem CID	http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID324097
UniChem compound ID	270584
CAS Registry Number	937-16-6
canonical SMILES	COC(=O)C1=CC(=C(N1)Br)Br
InChI	InChI=1S/C6H5Br2NO2/c1-11-6(10)4-2-3(7)5(8)9-4/h2,9H,1H3
InChIKey	ISQWCRSAYRXYRS-UHFFFAOYSA-N
chemical formula	C₆H₅Br₂NO₂
DSSTox substance ID	DTXSID10314746
PubChem CID	324097
DSSTOX compound identifier	DTXCID50265869
NSC number	wds:Q82067053-0E1AA49C-197A-46E0-AC71-CEEB3C44A7CB
NSC number	288036
mass	wds:Q82067053-694264B4-4DD9-45B5-8EB1-F465AC1141D3
mass	280.8687026 (xsd:decimal)
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q82067053
is main subject of	Antiplasmodial and cytotoxic metabolites from the Maltese sponge Agelas oroides Marine natural products from the Turkish sponge Agelas oroides that inhibit the enoyl reductases from Plasmodium falciparum, Mycobacterium tuberculosis and Escherichia coli.
is main subject of	wds:Q74835955-87392E98-11A5-4ABF-A7DB-CD627AFC64DF wds:Q51703022-ED17F1AE-8D89-4F17-AFCC-C95FF09DBB2B

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