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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1373742
CHEMBL1373742
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H13NO5

Additional synonyms for CHEMBL1373742 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1oc(C)c(c1)C(=O)Nc2ccc(O)c(c2)C(=O)O
Standard InChI InChI=1S/C14H13NO5/c1-7-5-10(8(2)20-7)13(17)15-9-3-4-12(16)1 ...
Download InChI
Standard InChI Key HDVUIZWFWYMTQL-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1373742

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
275.3 275.0794 2.55 3 99.77 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 3 0 6 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.94 .76 1.13 -2.02 2 20 0.75

Structural Alerts

There are 1 structural alerts for CHEMBL1373742. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HDVUIZWFWYMTQL-UHFFFAOYSA-N
PubChem SID: 48410253

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1373742



BindingDB 50396742
eMolecules 1365399
Mcule MCULE-3361403320
PubChem 703764
ZINC ZINC000000087131

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