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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL383850
CHEMBL383850
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C30H44O4

Additional synonyms for CHEMBL383850 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC[C@@H]1[C@H](C[C@@H](C)[C@H]2CC[C@H]3\C(=C\C=C/4\C[C@@H]( ...
Download SMILES
Standard InChI InChI=1S/C30H44O4/c1-6-8-24-20(4)29(33)34-28(24)15-18(2)25-1 ...
Download InChI
Standard InChI Key BIJNHUIMVLZCMI-CLBROTPQSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL383850

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
468.7 468.324 6.05 6 66.76 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 1 4 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 5.77 5.77 0 34 0.37

Structural Alerts

There are 8 structural alerts for CHEMBL383850. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BIJNHUIMVLZCMI-CLBROTPQSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL383850



BindingDB 50411176
PubChem 11995632
PubChem: Thomson Pharma 17494775
ZINC ZINC000037865395

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