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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL248064
CHEMBL248064
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C27H27NO4

Additional synonyms for CHEMBL248064 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc2CCN(Cc3cc(OC)c4oc(cc4c3)c5ccccc5)Cc2cc1OC
Standard InChI InChI=1S/C27H27NO4/c1-29-24-13-20-9-10-28(17-22(20)15-25(24) ...
Download InChI
Standard InChI Key CFGJMINARVBJLW-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL248064

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
429.5 429.194 5.68 6 44.07 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 0 1 5 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 6.71 4.47 4.39 4 32 0.39

Structural Alerts

There are no structural alerts for CHEMBL248064

Compound Cross References

ChemSpider ChemSpider:CFGJMINARVBJLW-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL248064



PubChem 44438173
ZINC ZINC000028878114

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