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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1562798
CHEMBL1562798
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C21H24N2O5

Additional synonyms for CHEMBL1562798 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)(C)OC(=O)NCC12OC(C=C1)C3C2C(=O)N(Cc4ccccc4)C3=O
Standard InChI InChI=1S/C21H24N2O5/c1-20(2,3)28-19(26)22-12-21-10-9-14(27-2 ...
Download InChI
Standard InChI Key JAHLICDNLQVRJG-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1562798

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
384.4 384.1685 2.02 4 84.94 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 7 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.42 - .52 .52 1 28 0.63

Structural Alerts

There are 6 structural alerts for CHEMBL1562798. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JAHLICDNLQVRJG-UHFFFAOYSA-N
PubChem SID: 14725737

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1562798



eMolecules 1199186
Mcule MCULE-6297492668
MolPort MolPort-001-925-867
PubChem 2832294

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