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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1880376
CHEMBL1880376
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C22H12

Additional synonyms for CHEMBL1880376 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES c1cc2ccc3ccc4ccc5cccc6c(c1)c2c3c4c56
Standard InChI InChI=1S/C22H12/c1-3-13-7-9-15-11-12-16-10-8-14-4-2-6-18-17( ...
Download InChI
Standard InChI Key GYFAGKUZYNFMBN-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1880376

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
276.3 276.0939 6.33 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
- - 6.65 6.65 6 22 0.22

Structural Alerts

There are 14 structural alerts for CHEMBL1880376. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GYFAGKUZYNFMBN-UHFFFAOYSA-N
PubChem SID: 144209930 SID: 26757391

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1880376



ACToR 191-24-2
Brenda 105518 125453 195433
ChEBI 34568
eMolecules 480151
EPA CompTox Dashboard DTXSID5023908
FDA SRS 5ZME2E2Q9L
IBM Patent System 24C29D571AAB85844044500B3F8DE7B3
KEGG Ligand C14318
MolPort MolPort-003-926-188
Nikkaji J5.878E
PubChem 9117
PubChem: Thomson Pharma 14897401
SureChEMBL SCHEMBL606940
ZINC ZINC000001570232

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