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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2402926
CHEMBL2402926
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C21H24N2O4

Additional synonyms for CHEMBL2402926 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc(OC(=O)NC2CCCCC2)cc(c1)c3cccc(c3)C(=O)N
Standard InChI InChI=1S/C21H24N2O4/c1-26-18-11-16(14-6-5-7-15(10-14)20(22)2 ...
Download InChI
Standard InChI Key MXWAKUJUMXYDLN-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2402926

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
368.4 368.1736 3.88 5 90.65 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 6 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.5 - 2.61 2.61 2 27 0.84

Structural Alerts

There are 2 structural alerts for CHEMBL2402926. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MXWAKUJUMXYDLN-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2402926



BindingDB 50437225
Nikkaji J3.253.853C
PubChem 71762979
SureChEMBL SCHEMBL18685448
ZINC ZINC000096273124

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