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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL555373
CHEMBL555373
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C34H42O5

Additional synonyms for CHEMBL555373 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1(CCC[C@@]2(C)[C@H]1CCc3ccc(O)cc23)C(=O)OC(=O)C4(C)CCCC5(C ...
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Standard InChI InChI=1S/C34H42O5/c1-31-15-5-17-33(3,27(31)13-9-21-7-11-23(3 ...
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Standard InChI Key CXSWMXMKWWOTPK-PZXRDPTESA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL555373

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
530.7 530.3032 6.89 2 83.83 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 2 5 2 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.95 - 7.72 7.72 2 39 0.33

Structural Alerts

There are 11 structural alerts for CHEMBL555373. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CXSWMXMKWWOTPK-PZXRDPTESA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL555373



BindingDB 50167698
PubChem 44399795

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