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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL34964
CHEMBL34964
Compound Name
ChEMBL Synonyms Benzo[B]Thiophen-2-Ylboronic Acid | Benzo[B]Thiophene2-Boronic Acid | Benzo[B]Thiophene-2-Boronic Acid | Bnezo[B]Thiophen-2-Boronic Acid | Benzo[B]Thiophen-2-Boronic Acid
Max Phase 0
Trade Names
Molecular Formula C8H7BO2S

Additional synonyms for CHEMBL34964 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OB(O)c1cc2ccccc2s1
Standard InChI InChI=1S/C8H7BO2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5,10-11 ...
Download InChI
Standard InChI Key YNCYPMUJDDXIRH-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL34964

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
178 178.026 - - - -


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 CHEMBL34964

Compound Cross References

ChemSpider ChemSpider:YNCYPMUJDDXIRH-UHFFFAOYSA-N
PubChem SID: 26753145

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL34964



ACToR 98437-23-1
BindingDB 26139
Brenda 158963
ChemicalBook CB5275458
DrugBank DB04360
eMolecules 475807
EPA CompTox Dashboard DTXSID80274363
IBM Patent System 73F434EEA4696A65FBC6F75BE99DBECD
Mcule MCULE-8106394039
MolPort MolPort-000-140-815
Nikkaji J920.026F
NMRShiftDB 20208378
PDBe BZB
PubChem 2359
PubChem: Thomson Pharma 15219626
SureChEMBL SCHEMBL8212
ZINC ZINC000169743221

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