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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3325552
CHEMBL3325552
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C20H32

Additional synonyms for CHEMBL3325552 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=C1CC[C@@]2(C)C\C=C(/C)\CC\C=C(/C)\CC[C@H]12)C
Standard InChI InChI=1S/C20H32/c1-15(2)18-12-14-20(5)13-11-17(4)8-6-7-16(3) ...
Download InChI
Standard InChI Key VSEDLQDFSQWMRG-WSHNDMGWSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3325552

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
272.5 272.2504 6.6 0 0 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
0 0 1 0 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 8.42 8.42 0 20 0.44

Structural Alerts

There are 1 structural alerts for CHEMBL3325552. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VSEDLQDFSQWMRG-WSHNDMGWSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3325552



PubChem 11701776
PubChem: Thomson Pharma 16806374
ZINC ZINC000136270503

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