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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1968851
CHEMBL1968851
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H13N3O5

Additional synonyms for CHEMBL1968851 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccc(NC(=O)C(=O)C2C(=O)NC(=O)NC2=O)c(C)c1
Standard InChI InChI=1S/C14H13N3O5/c1-6-3-4-8(7(2)5-6)15-13(21)10(18)9-11(1 ...
Download InChI
Standard InChI Key IIHBLOCSNFUZHN-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1968851

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
303.3 303.0855 -0.21 3 121.44 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 0 8 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
-1.89 1.61 -.5 -3 1 22 0.53

Structural Alerts

There are 8 structural alerts for CHEMBL1968851. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:IIHBLOCSNFUZHN-UHFFFAOYSA-N
PubChem SID: 500109

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1968851



PubChem 368945
ZINC ZINC000001626274

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