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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1441574
CHEMBL1441574
Compound Name BENZO(K)FLUORANTHENE
ChEMBL Synonyms Benzo(K)Fluoranthene
Max Phase 0
Trade Names
Molecular Formula C20H12

Additional synonyms for CHEMBL1441574 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES c1ccc2cc3c(cc2c1)c4cccc5cccc3c45
Standard InChI InChI=1S/C20H12/c1-2-6-15-12-19-17-10-4-8-13-7-3-9-16(20(13) ...
Download InChI
Standard InChI Key HAXBIWFMXWRORI-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1441574

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
252.3 252.0939 5.64 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
- - 6.19 6.19 4 20 0.33

Structural Alerts

There are 1 structural alerts for CHEMBL1441574. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HAXBIWFMXWRORI-UHFFFAOYSA-N
PubChem SID: 144207919 SID: 17389160 SID: 26752812

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1441574



ACToR 207-08-9
Brenda 138837 174460
ChEBI 34569
eMolecules 479783
EPA CompTox Dashboard DTXSID0023909
FDA SRS U0P6LY48VF
IBM Patent System 1B2127B5093A2798F61EBE2F763EB582
KEGG Ligand C14321
Mcule MCULE-7655840980
MolPort MolPort-003-926-132
Nikkaji J35.618B
PubChem 9158
PubChem: Thomson Pharma 15590344
SureChEMBL SCHEMBL175484
ZINC ZINC000002507978

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