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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL143399
CHEMBL143399
Compound Name
ChEMBL Synonyms Benzo[B]Furan2-Boronic Acid | Benzo[B]Furan-2-Boronic Acid
Max Phase 0
Trade Names
Molecular Formula C8H7BO3

Additional synonyms for CHEMBL143399 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OB(O)c1oc2ccccc2c1
Standard InChI InChI=1S/C8H7BO3/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5,10-11H
Standard InChI Key PKRRNTJIHGOMRC-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL143399

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
162 162.0488 - - - -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
- - - - - -


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - - - - - -0

Structural Alerts

There are no structural alerts for CHEMBL143399

Compound Cross References

ChemSpider ChemSpider:PKRRNTJIHGOMRC-UHFFFAOYSA-N
PubChem SID: 26753144

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL143399



ACToR 98437-24-2
BindingDB 26140
ChemicalBook CB0181752
eMolecules 515511
EPA CompTox Dashboard DTXSID70379937
IBM Patent System 1B0017F8004348EEB44B2BD239758D6B
Mcule MCULE-1299334699
MolPort MolPort-000-139-291
Nikkaji J1.052.112B
NMRShiftDB 20051189
PubChem 2776266
PubChem: Thomson Pharma 14843096
SureChEMBL SCHEMBL147973
ZINC ZINC000169743334

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