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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1490082
CHEMBL1490082
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C13H16N2O4

Additional synonyms for CHEMBL1490082 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)OC(=O)C1=C(C)NC(=O)NC1c2occc2
Standard InChI InChI=1S/C13H16N2O4/c1-7(2)19-12(16)10-8(3)14-13(17)15-11(10 ...
Download InChI
Standard InChI Key AMVBLUKTOOTWMN-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1490082

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
264.3 264.111 1.86 3 80.57 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 6 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.08 - 2.84 2.83 1 19 0.82

Structural Alerts

There are 1 structural alerts for CHEMBL1490082. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:AMVBLUKTOOTWMN-UHFFFAOYSA-N
PubChem SID: 14726323

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1490082



eMolecules 1433746
Mcule MCULE-9478653261
MolPort MolPort-000-481-835
PubChem 2748294

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