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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL363614
CHEMBL363614
Compound Name BENZOFURAN
ChEMBL Synonyms Benzofuran
Max Phase 0
Trade Names
Molecular Formula C8H6O

Additional synonyms for CHEMBL363614 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES o1ccc2ccccc12
Standard InChI InChI=1S/C8H6O/c1-2-4-8-7(3-1)5-6-9-8/h1-6H
Standard InChI Key IANQTJSKSUMEQM-UHFFFAOYSA-N

Structural Alerts

There are no structural alerts for CHEMBL363614

Alternate Forms of Compound in ChEMBL


CHEMBL363614

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
118.1 118.0419 2.13 0 13.14 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
0 0 0 1 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 2.69 2.69 2 9 0.5

Compound Cross References

ChemSpider ChemSpider:IANQTJSKSUMEQM-UHFFFAOYSA-N
PubChem SID: 144214015 SID: 17390023 SID: 26752901 SID: 26752902 SID: 85272551
Wikipedia Benzofuran

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL363614



ACToR 271-89-6
Atlas 2,3-benzofuran
BindinDB 50167940
ChEBI 35260
DrugBank DB04179
eMolecules 494194
FDA SRS LK6946W774
Human Metabolome Database HMDB32929
IBM Patent System 2C47F30255971912B18680848E0A2172
IBM Patents WO2010015306A1 US20080227845 US4231965 US7250079 US20050260786 EP1489070B1 EP0021520A1 EP1942378A1 WO2004052854A2 WO2007027230A2 US5399698 WO1994006894A1 US4829760 EP0412832A3 EP1278741B1 US6455708 EP1499622B1 US20070015893 US6696215 EP0702683A1 US20070053050 US20050171356 EP1996573A1 US7691990 US7655804 US5270099 EP1556029A2 US5837419 WO2010102903A1 WO2010092289A1 EP1664012B1 EP0068564A1 WO2006047344A1 WO2004058761A1 US4543375 EP1694673A1 WO2008156717A1 US20060189637 EP2215048A1 WO2006108095A2 EP1906926A1 US5886025 US4701461 US5817251 US20090005353 EP1397350A1 EP2155678A1 EP1487811B1 WO2010115264A1 US20050222230 US20060094836 US7320834 EP1701960A1 WO1997047633A1 EP2172468A1 WO2009129926A1 WO2003031581A2 US20100068140 US20040122014 EP1080640B1 US6610660 WO2010080618A2 US4343648 US7858644 WO2010045251A2 WO2005092521A2 US7763406 EP0816348A1 US5459004 EP0984334A3 US20070049757 US5639811 US20030108596 US20060100160 US20100204274 EP1134239B1 WO2010135581A1 US5831090 EP1770085A1 US5834402 WO2005009993A1 US7253173 US20080318874 WO2002028865A2 US20040044071 EP1781701A2 EP0770376B1 WO2008086035A2 EP1380576B1 US20070172778 WO2007053844A2 US20060009614 EP1204645A2 EP1503981A2 WO2008033746A2 US6759412 US6984664 WO2006015035A1 US7495022 US20020008746
KEGG Ligand C14512
MolPort MolPort-000-145-910
Nikkaji J5.447J
NMRShiftDB 10017589
PDBe BZF
PubChem 9223
PubChem: Thomson Pharma 14867218
SureChEMBL SCHEMBL5564
ZINC ZINC01591814

UniChem REST Service Call: https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/IANQTJSKSUMEQM-UHFFFAOYSA-N spacer
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