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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL294013
CHEMBL294013
Compound Name
ChEMBL Synonyms L-759656
Max Phase 0
Trade Names
Molecular Formula C26H40O2

Additional synonyms for CHEMBL294013 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCC(C)(C)c1cc(OC)c2[C@@H]3CC(=C)CC[C@H]3C(C)(C)Oc2c1
Standard InChI InChI=1S/C26H40O2/c1-8-9-10-11-14-25(3,4)19-16-22(27-7)24-20 ...
Download InChI
Standard InChI Key BJIIKHXAZBTGLF-NHCUHLMSSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL294013

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
384.6 384.3028 7.76 7 18.46 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 0 1 2 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 9.54 9.54 1 28 0.35

Structural Alerts

There are 5 structural alerts for CHEMBL294013. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BJIIKHXAZBTGLF-NHCUHLMSSA-N
Wikipedia L-759,656

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL294013



BindingDB 50287940
eMolecules 32234335
Guide to Pharmacology 749
IBM Patent System A6AAD34BA08C37144DB6FDA4E0AB6E9E
Nikkaji J1.061.487B
PubChem 5311216
PubChem: Thomson Pharma 14780371
SureChEMBL SCHEMBL3688359

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