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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1797416
CHEMBL1797416
Compound Name TRIPHENYLENE
ChEMBL Synonyms Triphenylene
Max Phase 0
Trade Names
Molecular Formula C18H12

Additional synonyms for CHEMBL1797416 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES c1ccc2c3ccccc3c4ccccc4c2c1
Standard InChI InChI=1S/C18H12/c1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5 ...
Download InChI
Standard InChI Key SLGBZMMZGDRARJ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1797416

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
228.3 228.0939 4.56 0 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
- - 5.73 5.73 4 18 0.39

Structural Alerts

There are 6 structural alerts for CHEMBL1797416. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SLGBZMMZGDRARJ-UHFFFAOYSA-N
Wikipedia Triphenylene

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1797416



ACToR 217-59-4
Brenda 107445
ChEBI 33080
eMolecules 508571
EPA CompTox Dashboard DTXSID9059757
FDA SRS 18WX3373I0
IBM Patent System 87C0204FE83868652C5AC779C907621C
KEGG Ligand C19541
Mcule MCULE-7400156694
MolPort MolPort-001-782-010
Nikkaji J6.134D
NMRShiftDB 10016522
PubChem 9170
PubChem: Thomson Pharma 16058506
SureChEMBL SCHEMBL25597
ZINC ZINC000001688068

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