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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL6781
CHEMBL6781
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H10N2O3

Additional synonyms for CHEMBL6781 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOC(=O)C1=NC(=O)N2C=CC=CC2=C1
Standard InChI InChI=1S/C11H10N2O3/c1-2-16-10(14)9-7-8-5-3-4-6-13(8)11(15)1 ...
Download InChI
Standard InChI Key ZEQRWNXZVWBQHA-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL6781

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
218.2 218.0691 0.87 2 60.67 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - .47 .47 2 16 0.7

Structural Alerts

There are 2 structural alerts for CHEMBL6781. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZEQRWNXZVWBQHA-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL6781



Nikkaji J1.525.249I
NMRShiftDB 20168806
PubChem 10632597
PubChem: Thomson Pharma 15663387
ZINC ZINC000025967168

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