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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL62513
CHEMBL62513
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H13ClN2O5

Additional synonyms for CHEMBL62513 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COC(=O)NC(=O)CC1C(=O)N(C)C(=O)c2ccc(Cl)cc12
Standard InChI InChI=1S/C14H13ClN2O5/c1-17-12(19)8-4-3-7(15)5-9(8)10(13(17) ...
Download InChI
Standard InChI Key CIGDVZDAAZTXOM-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL62513

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
324.7 324.0513 1.31 2 92.78 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 7 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.73 - -.31 -.47 1 22 0.83

Structural Alerts

There are 3 structural alerts for CHEMBL62513. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CIGDVZDAAZTXOM-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL62513



PubChem 10019178
PubChem: Thomson Pharma 15000344
SureChEMBL SCHEMBL9870877

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