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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3601028
CHEMBL3601028
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C35H61NO4

Additional synonyms for CHEMBL3601028 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C ...
Download SMILES
Standard InChI InChI=1S/C30H48O3.C5H14NO/c1-18(2)19-10-15-30(25(32)33)17-16 ...
Download InChI
Standard InChI Key GVUXEWAJOYKCFU-WPWIBRCCSA-M

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3601028

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
456.7 456.3603 7.09 2 57.53 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 1 3 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.61 - 7.65 4.91 0 33 0.44

Structural Alerts

There are 2 structural alerts for CHEMBL3601028. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GVUXEWAJOYKCFU-WPWIBRCCSA-M

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3601028



PubChem 53385580
PubChem: Thomson Pharma 125312863

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/GVUXEWAJOYKCFU-WPWIBRCCSA-M spacer
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