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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1566078
CHEMBL1566078
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H19NO5

Additional synonyms for CHEMBL1566078 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN(CC)C(=O)COc1ccc2OC(=CC(=O)c2c1)c3occc3
Standard InChI InChI=1S/C19H19NO5/c1-3-20(4-2)19(22)12-24-13-7-8-16-14(10-1 ...
Download InChI
Standard InChI Key OKKIBJUTCGXOCG-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1566078

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
341.4 341.1263 3.3 6 72.89 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 0 0 6 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 3.11 3.11 3 25 0.69

Structural Alerts

There are 2 structural alerts for CHEMBL1566078. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OKKIBJUTCGXOCG-UHFFFAOYSA-N
PubChem SID: 24795736

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1566078



eMolecules 2526256
Mcule MCULE-5502744419
MolPort MolPort-000-676-352
PubChem 735110
ZINC ZINC000000151190

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