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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL39879
CHEMBL39879
Compound Name DIPYRIDYL
ChEMBL Synonyms Bipyridine | 2,2'-Bipyridine | 2,2'-Bipyridyl | Dipyridyl
Max Phase 0
Trade Names
Molecular Formula C10H8N2

Additional synonyms for CHEMBL39879 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES c1ccc(nc1)c2ccccn2
Standard InChI InChI=1S/C10H8N2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10/h1-8H
Standard InChI Key ROFVEXUMMXZLPA-UHFFFAOYSA-N

Sources

  • Gene Expression Atlas Compounds
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL39879

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
156.2 156.0687 2.14 1 25.78 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 0 0 2 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 4.4 1.69 1.69 2 12 0.63

Structural Alerts

There are no structural alerts for CHEMBL39879

Compound Cross References

ChemSpider ChemSpider:ROFVEXUMMXZLPA-UHFFFAOYSA-N
PubChem SID: 11111094 SID: 144211747 SID: 50105706 SID: 8139919 SID: 85231009 SID: 90341834
Wikipedia 2,2%27-Bipyridine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL39879



ACToR 366-18-7
Atlas dipyridyl
BindingDB 50042874
Brenda 1706 174849 1850 19889 43009 49672 89610 375 97344 92363 32436 2457 122927 43729 29321 16194 92362 32440 107556 180213
ChEBI 30351
ChemicalBook CB5195697
eMolecules 481911
EPA CompTox Dashboard DTXSID9040635
FDA SRS 551W113ZEP
IBM Patent System 78FCDAA9C56C2CCAB7B40EB9A23E567C
Mcule MCULE-8524562351
MolPort MolPort-000-155-037
Nikkaji J2.457.336B J2.457.337K J46.972F
NMRShiftDB 10022053
PDBe 0BP
PubChem 1474
PubChem: Thomson Pharma 14747978
SureChEMBL SCHEMBL5922
ZINC ZINC000000105227

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