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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

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

Structural Alerts

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

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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