ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1720488
CHEMBL1720488
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C20H20N2O4

Additional synonyms for CHEMBL1720488 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC1(NC(=O)N(Cc2ccc(cc2)C(=O)OC)C1=O)c3ccccc3
Standard InChI InChI=1S/C20H20N2O4/c1-3-20(16-7-5-4-6-8-16)18(24)22(19(25)2 ...
Download InChI
Standard InChI Key TVZCEESIDVQHIE-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1720488

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
352.4 352.1423 2.83 5 75.71 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 6 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.67 - 2.98 2.79 2 26 0.66

Structural Alerts

There are 2 structural alerts for CHEMBL1720488. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:TVZCEESIDVQHIE-UHFFFAOYSA-N
PubChem SID: 22411518

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1720488



Mcule MCULE-1102854055
MolPort MolPort-003-342-113
PubChem 15945436

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