ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1876579
CHEMBL1876579
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C18H15B

Additional synonyms for CHEMBL1876579 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES c1ccc(cc1)B(c2ccccc2)c3ccccc3
Standard InChI InChI=1S/C18H15B/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-1 ...
Download InChI
Standard InChI Key MXSVLWZRHLXFKH-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1876579

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
242.1 242.1267 - - - -


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 CHEMBL1876579

Compound Cross References

ChemSpider ChemSpider:MXSVLWZRHLXFKH-UHFFFAOYSA-N
PubChem SID: 144213530 SID: 26757601

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1876579



ACToR 960-71-4 5181-80-6
ChemicalBook CB4265993
eMolecules 508474
EPA CompTox Dashboard DTXSID6027345
FDA SRS 6282553L0G
IBM Patent System 1601516EC16EC4B41BD9ECF294BB6234
Mcule MCULE-9038136964
Nikkaji J121.102A
NMRShiftDB 20027449
PubChem 70400
PubChem: Thomson Pharma 14819255
SureChEMBL SCHEMBL125450
ZINC ZINC000169747063

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