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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL67945
CHEMBL67945
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C35H64O7

Additional synonyms for CHEMBL67945 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H](O)CCCC[C@H](O)C ...
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Standard InChI InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-11-15-21-31(38)33-23-2 ...
Download InChI
Standard InChI Key XNODZYPOIPVPRF-CGWDHHCXSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL67945

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
596.9 596.4652 7.06 26 116.45 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 4 2 7 4 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 6.01 6.01 0 42 0.06

Structural Alerts

There are 12 structural alerts for CHEMBL67945. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XNODZYPOIPVPRF-CGWDHHCXSA-N
PubChem SID: 484412

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL67945



FDA SRS 40372ET6TM
MolPort MolPort-039-141-792
Nikkaji J246.239G
PubChem 354398
PubChem: Thomson Pharma 16054547
SureChEMBL SCHEMBL14666180
ZINC ZINC000043242049

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