ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1490809
CHEMBL1490809
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H15NO4S

Additional synonyms for CHEMBL1490809 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COC(=O)C1=C(CCS1)NC(=O)c2cccc(OC)c2
Standard InChI InChI=1S/C14H15NO4S/c1-18-10-5-3-4-9(8-10)13(16)15-11-6-7-20 ...
Download InChI
Standard InChI Key GPDZLUNLXHMMLS-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1490809

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
293.3 293.0722 1.95 4 64.63 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
11.87 - 1.76 1.76 1 20 0.86

Structural Alerts

There are 1 structural alerts for CHEMBL1490809. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GPDZLUNLXHMMLS-UHFFFAOYSA-N
PubChem SID: 4247689

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1490809



BindingDB 77495
PubChem 3241864
SureChEMBL SCHEMBL14613090

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