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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL486808
CHEMBL486808
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C30H48O2

Additional synonyms for CHEMBL486808 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@H](CCC=C(C)C)[C@H]1C[C@H](O)[C@@]2(C)C3=CC[C@H]4C(C)(C)[ ...
Download SMILES
Standard InChI InChI=1S/C30H48O2/c1-19(2)10-9-11-20(3)23-18-26(32)30(8)22-1 ...
Download InChI
Standard InChI Key CCFQLQIYEHITNK-SSORVZQWSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL486808

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
440.7 440.3654 7.23 4 40.46 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 8.29 8.29 0 32 0.45

Structural Alerts

There are 2 structural alerts for CHEMBL486808. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CCFQLQIYEHITNK-SSORVZQWSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL486808



BindingDB 50241886
Nikkaji J18.386E
PubChem 11697907
PubChem: Thomson Pharma 16802416
ZINC ZINC000006036292

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