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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL353680
CHEMBL353680
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C27H38O3

Additional synonyms for CHEMBL353680 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@H](CC#CC1(C)CO1)[C@H]2CC[C@H]3\C(=C/C=C/4\C[C@@H](O)C[C@ ...
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Standard InChI InChI=1S/C27H38O3/c1-18(7-5-13-26(3)17-30-26)23-11-12-24-20( ...
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Standard InChI Key RPCZXHGKTBPWFO-CSLRZQCASA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL353680

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
410.6 410.2821 4.87 5 52.98 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 3 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 4.89 4.89 0 30 0.64

Structural Alerts

There are 12 structural alerts for CHEMBL353680. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RPCZXHGKTBPWFO-CSLRZQCASA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL353680



PubChem 44384050

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