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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL244140
CHEMBL244140
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C18H10N2O4

Additional synonyms for CHEMBL244140 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1ccc(O)c2c3[nH]c4ccccc4c3c5C(=O)NC(=O)c5c12
Standard InChI InChI=1S/C18H10N2O4/c21-9-5-6-10(22)13-12(9)15-14(17(23)20-1 ...
Download InChI
Standard InChI Key VYVSDAQCZSWUJJ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL244140

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
318.3 318.0641 2.77 0 102.42 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.88 - 2.36 2.34 4 24 0.3

Structural Alerts

There are 4 structural alerts for CHEMBL244140. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VYVSDAQCZSWUJJ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL244140



BindingDB 50220068
PubChem 17759427
PubChem: Thomson Pharma 29220429
ZINC ZINC000028710883

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