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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL184313
CHEMBL184313
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H34O2

Additional synonyms for CHEMBL184313 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCC[C@H]1C[C@]2(C)[C@@H](O)CCC2C3CCC4=CC(=O)CCC4=C13
Standard InChI InChI=1S/C23H34O2/c1-3-4-5-6-16-14-23(2)20(11-12-21(23)25)19 ...
Download InChI
Standard InChI Key IZUMHFDUSAWWQU-UUSGWYPSSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL184313

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
342.5 342.2559 5.36 4 37.3 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 5.8 5.8 0 25 0.7

Structural Alerts

There are 3 structural alerts for CHEMBL184313. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:IZUMHFDUSAWWQU-UUSGWYPSSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL184313



BindingDB 50154006
PubChem 10472575
PubChem: Thomson Pharma 15496054

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