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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1083627
CHEMBL1083627
Compound Name POLYSIN
ChEMBL Synonyms Polysin
Max Phase 0
Trade Names
Molecular Formula C23H29NO

Additional synonyms for CHEMBL1083627 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= ...
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Standard InChI InChI=1S/C23H29NO/c1-21(2)18-9-12-23(4)19(22(18,3)11-10-20(2 ...
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Standard InChI Key NEPLKJAINOWIJL-DHNNRRLOSA-N

Structural Alerts

There are 1 structural alerts for CHEMBL1083627. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL1083627

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-DHNNRRLOSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1083627



BindinDB 50320388
PubChem 46871703
PubChem: Thomson Pharma 99311328

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