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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL354234
CHEMBL354234
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C20H23NO4

Additional synonyms for CHEMBL354234 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc2CC3NC(Cc4cc(OC)c(OC)cc34)c2cc1OC
Standard InChI InChI=1S/C20H23NO4/c1-22-17-7-11-5-15-14-10-20(25-4)18(23-2) ...
Download InChI
Standard InChI Key SRSPZLZVGPJHJH-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL354234

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
341.4 341.1627 3.21 4 48.95 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.04 1.85 1.7 2 25 0.93

Structural Alerts

There are no structural alerts for CHEMBL354234

Compound Cross References

ChemSpider ChemSpider:SRSPZLZVGPJHJH-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL354234



Brenda 90055
ChEBI 77048 77051
Mcule MCULE-7327694142
Metabolights MTBLC77048 MTBLC77051
NMRShiftDB 10018958
PubChem 419775

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