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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL429926
CHEMBL429926
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H39NO2

Additional synonyms for CHEMBL429926 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCCCCCCC(=O)N[C@H](C)[C@@H](O)c1ccccc1
Standard InChI InChI=1S/C23H39NO2/c1-3-4-5-6-7-8-9-10-11-12-16-19-22(25)24- ...
Download InChI
Standard InChI Key YLAZEWZHIRBZDA-NFBKMPQASA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL429926

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
361.6 361.2981 5.93 15 49.33 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 1 3 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.7 - 6.42 6.42 1 26 0.38

Structural Alerts

There are 9 structural alerts for CHEMBL429926. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YLAZEWZHIRBZDA-NFBKMPQASA-N
PubChem SID: 26754977

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL429926



ACToR 143492-38-0 60847-25-8
BindingDB 50392473
Brenda 42101 88029
ChEBI 93338
eMolecules 1934570
Guide to Pharmacology 8817
IBM Patent System 5DF069E2A96ABCEF3CF50906183515F2
LINCS LSM-3703
MolPort MolPort-039-139-074
Nikkaji J728.852B
PubChem 124735
PubChem: Thomson Pharma 15472772 14828336
SureChEMBL SCHEMBL611869
ZINC ZINC000008860503

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