ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1490325
CHEMBL1490325
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H15NO5

Additional synonyms for CHEMBL1490325 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COC(=O)CCC(=O)c1oc2ccc(OC)cc2c1N
Standard InChI InChI=1S/C14H15NO5/c1-18-8-3-5-11-9(7-8)13(15)14(20-11)10(16 ...
Download InChI
Standard InChI Key LKHCWMSDKRCJDR-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1490325

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
277.3 277.095 2.16 5 91.76 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 0 6 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 2.29 2.29 2 20 0.66

Structural Alerts

There are 4 structural alerts for CHEMBL1490325. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LKHCWMSDKRCJDR-UHFFFAOYSA-N
PubChem SID: 14726300

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1490325



eMolecules 1493467
Mcule MCULE-2234459378
MolPort MolPort-002-008-597
PubChem 906295
ZINC ZINC000000487977

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