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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL11546
CHEMBL11546
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H18N2O4

Additional synonyms for CHEMBL11546 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C\C=C(/NC(=O)CNC(=O)CC(C)C)\C(=O)O
Standard InChI InChI=1S/C11H18N2O4/c1-4-8(11(16)17)13-10(15)6-12-9(14)5-7(2 ...
Download InChI
Standard InChI Key CQBPSJKTOQDOAZ-YWEYNIOJSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL11546

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
242.3 242.1267 0.25 6 95.5 ACID


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.98 - -.42 -3.74 0 17 0.58

Structural Alerts

There are 5 structural alerts for CHEMBL11546. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CQBPSJKTOQDOAZ-YWEYNIOJSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL11546



PubChem 44267663
ZINC ZINC000026021903

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