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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3391893
CHEMBL3391893
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C30H52O4

Additional synonyms for CHEMBL3391893 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1(C)CCC[C@@](C)(O1)[C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]4 ...
Download SMILES
Standard InChI InChI=1S/C30H52O4/c1-25(2)12-9-13-30(8,34-25)18-10-15-28(6)2 ...
Download InChI
Standard InChI Key QFJUYMMIBFBOJY-UXZRXANASA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL3391893

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
476.7 476.3866 5.71 1 69.92 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 3 1 4 3 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 5.68 5.68 0 34 0.45

Structural Alerts

There are no structural alerts for CHEMBL3391893

Compound Cross References

ChemSpider ChemSpider:QFJUYMMIBFBOJY-UXZRXANASA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3391893



eMolecules 30512771
FDA SRS 9F5B25FDDG
IBM Patent System 9074E292C5EB9A1BA769103ABB46D7CE
MolPort MolPort-006-069-347
PubChem 73599
SureChEMBL SCHEMBL467026
ZINC ZINC000082092694

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