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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL282489
CHEMBL282489
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C22H24O2

Additional synonyms for CHEMBL282489 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC[C@@H]1Cc2cc(O)ccc2C3=C1c4ccc(O)cc4C[C@H]3CC
Standard InChI InChI=1S/C22H24O2/c1-3-13-9-15-11-17(23)6-8-20(15)22-14(4-2) ...
Download InChI
Standard InChI Key MASYAWHPJCQLSW-ZIAGYGMSSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL282489

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
320.4 320.1776 5.87 2 40.46 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 1 2 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.27 - 6.89 6.89 2 24 0.73

Structural Alerts

There are 1 structural alerts for CHEMBL282489. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MASYAWHPJCQLSW-ZIAGYGMSSA-N
PubChem SID: 11111107 SID: 26753569 SID: 26753570 SID: 50106248 SID: 50106249 SID: 56463009 SID: 90340585

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL282489



ACToR 221368-54-3 138090-06-9
BindingDB 50436200
eMolecules 537712
EPA CompTox Dashboard DTXSID6040749
Guide to Pharmacology 2822
MolPort MolPort-003-941-174
Nikkaji J1.162.686F
PDBe ETC
PubChem 446849
PubChem: Thomson Pharma 15770585
SureChEMBL SCHEMBL13352540
ZINC ZINC000003940885

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