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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL419810
CHEMBL419810
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H24N2O3

Additional synonyms for CHEMBL419810 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2
Standard InChI InChI=1S/C15H24N2O3/c18-13(19)2-1-3-16-14(20)17-15-7-10-4-11 ...
Download InChI
Standard InChI Key NJUKVGCFDZUOHB-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL419810

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
280.4 280.1787 2.12 5 78.43 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 3 0 5 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.74 - 2.06 -.67 0 20 0.67

Structural Alerts

There are 3 structural alerts for CHEMBL419810. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NJUKVGCFDZUOHB-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL419810



BindingDB 25734
Brenda 127507
IBM Patent System 1DFB6C6985F92D6755DF5F5EDDD690DE
Mcule MCULE-8431670873
PubChem 11425995
SureChEMBL SCHEMBL1065822
ZINC ZINC000013560472

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