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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1083628
CHEMBL1083628
Compound Name
ChEMBL Synonyms Greenwayodendrin-3-One
Max Phase 0
Trade Names
Molecular Formula C23H29NO

Additional synonyms for CHEMBL1083628 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1(C)[C@@H]2CC[C@]3(C)[C@H](Cc4cc5ccccc5n34)[C@@]2(C)CCC1=O
Standard InChI InChI=1S/C23H29NO/c1-21(2)18-9-12-23(4)19(22(18,3)11-10-20(2 ...
Download InChI
Standard InChI Key NEPLKJAINOWIJL-JFSTXAPLSA-N

Structural Alerts

There are 1 structural alerts for CHEMBL1083628. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL1083628

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
335.5 335.2249 4.95 0 22 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 5.42 5.42 2 25 0.67

Compound Cross References

ChemSpider ChemSpider:NEPLKJAINOWIJL-JFSTXAPLSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1083628



PubChem 46891354

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