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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1346946
CHEMBL1346946
Compound Name DIBENZ[A,H]ANTHRACENE
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C22H14

Additional synonyms for CHEMBL1346946 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES c1ccc2c(c1)ccc3cc4c(ccc5ccccc45)cc23
Standard InChI InChI=1S/C22H14/c1-3-7-19-15(5-1)9-11-17-14-22-18(13-21(17)1 ...
Download InChI
Standard InChI Key LHRCREOYAASXPZ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1346946

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
278.4 278.1096 6.3 0 0 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
0 0 1 0 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 6.91 6.91 5 22 0.23

Structural Alerts

There are 10 structural alerts for CHEMBL1346946. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LHRCREOYAASXPZ-UHFFFAOYSA-N
PubChem SID: 144209703 SID: 144213892 SID: 17389941

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1346946



ACToR 53-70-3
Brenda 125508 174811
ChEBI 35299
ChemicalBook CB4372398
eMolecules 501985
EPA CompTox Dashboard DTXSID9020409
FDA SRS T30ELH3D5X
IBM Patent System 64C1B0A2503162C7CE2BB025783FC6BE
KEGG Ligand C14325
Mcule MCULE-2079643770
MolPort MolPort-001-785-825
Nikkaji J2.797I
PubChem 5889
PubChem: Thomson Pharma 14872923
SureChEMBL SCHEMBL156100
ZINC ZINC000001590020

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