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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL113028
CHEMBL113028
Compound Name
ChEMBL Synonyms (E)-1,2-Diphenylethene | (E)-Stilbene
Max Phase 0
Trade Names
Molecular Formula C14H12

Additional synonyms for CHEMBL113028 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C(=C\c1ccccc1)/c2ccccc2
Standard InChI InChI=1S/C14H12/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-12 ...
Download InChI
Standard InChI Key PJANXHGTPQOBST-VAWYXSNFSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL113028

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
180.3 180.0939 3.82 2 0 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 3.89 3.89 2 14 0.62

Structural Alerts

There are 3 structural alerts for CHEMBL113028. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PJANXHGTPQOBST-VAWYXSNFSA-N
PubChem SID: 144209924
Wikipedia (E)-Stilbene

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL113028



ACToR 588-59-0 103-30-0
BindingDB 175262
Brenda 97419
ChEBI 36007
eMolecules 481492
EPA CompTox Dashboard DTXSID4026050
FDA SRS 3FA7NW80A0
IBM Patent System 4A33D418214C4A2CBECDBECBF1B55BF7
MolPort MolPort-000-255-165
Nikkaji J46.982C J1.639J
NMRShiftDB 10016574
PubChem 638088
PubChem: Thomson Pharma 14843244
SureChEMBL SCHEMBL442
ZINC ZINC000001577148

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