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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1607517
CHEMBL1607517
Compound Name BENZANTHRONE
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H10O

Additional synonyms for CHEMBL1607517 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C1c2ccccc2c3cccc4cccc1c34
Standard InChI InChI=1S/C17H10O/c18-17-14-8-2-1-7-12(14)13-9-3-5-11-6-4-10- ...
Download InChI
Standard InChI Key HUKPVYBUJRAUAG-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1607517

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
230.3 230.0732 4.05 0 17.07 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 4.67 4.67 3 18 0.45

Structural Alerts

There are 1 structural alerts for CHEMBL1607517. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HUKPVYBUJRAUAG-UHFFFAOYSA-N
PubChem SID: 26749349 SID: 93576730

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1607517



ACToR 116664-93-8 116495-96-6 82-05-3
Brenda 135950
ChEBI 93350
eMolecules 477157
EPA CompTox Dashboard DTXSID8052566
FDA SRS LP5P3RR8QN
IBM Patent System 86FD3E472A9A0522E23B698BC4F65C47
LINCS LSM-3723
Mcule MCULE-6216392978
MolPort MolPort-000-557-972
Nikkaji J3.864D
PubChem 6697
PubChem: Thomson Pharma 15245458
SureChEMBL SCHEMBL23838
ZINC ZINC000003860207

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