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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL16184
CHEMBL16184
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C20H33N3O3

Additional synonyms for CHEMBL16184 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCCCN
Standard InChI InChI=1S/C20H33N3O3/c1-2-8-19(25)23-18(15-16-9-11-17(24)12-1 ...
Download InChI
Standard InChI Key XKOIBCCSEZNHCT-SFHVURJKSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL16184

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
363.5 363.2522 2.24 13 104.45 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 10.65 2.32 -.55 1 26 0.4

Structural Alerts

There are 7 structural alerts for CHEMBL16184. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XKOIBCCSEZNHCT-SFHVURJKSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL16184



BindingDB 50111639
Nikkaji J1.697.453F
PubChem 10248162
PubChem: Thomson Pharma 15251280
ZINC ZINC000013587107

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