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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL16044
CHEMBL16044
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H41N3O3

Additional synonyms for CHEMBL16044 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCCCCCCCN
Standard InChI InChI=1S/C24H41N3O3/c1-2-12-23(29)27-22(19-20-13-15-21(28)16 ...
Download InChI
Standard InChI Key OZVULFLAPUPPFK-QFIPXVFZSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL16044

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
419.6 419.3148 3.81 17 104.45 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 4 0 6 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.84 10.67 4.35 1.48 1 30 0.29

Structural Alerts

There are 9 structural alerts for CHEMBL16044. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OZVULFLAPUPPFK-QFIPXVFZSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL16044



BindingDB 50111638
Guide to Pharmacology 8883
Nikkaji J1.697.458G
PubChem 10047720
PubChem: Thomson Pharma 15031212
ZINC ZINC000013587111

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