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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL364613
CHEMBL364613
Compound Name CORONARIDINE
ChEMBL Synonyms Coronaridine
Max Phase 0
Trade Names
Molecular Formula C21H26N2O2

Additional synonyms for CHEMBL364613 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC[C@H]1C[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@](C2)([C@H]13)C(=O ...
Download SMILES
Standard InChI InChI=1S/C21H26N2O2/c1-3-14-10-13-11-21(20(24)25-2)18-16(8-9 ...
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Standard InChI Key NVVDQMVGALBDGE-KSWFMABOSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL364613

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
338.4 338.1994 4.06 3 45.33 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.89 3.97 3.21 2 25 0.86

Structural Alerts

There are 1 structural alerts for CHEMBL364613. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NVVDQMVGALBDGE-KSWFMABOSA-N
Wikipedia Coronaridine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL364613



BindingDB 50329102
ChEBI 3887
KEGG Ligand C09139
Metabolights MTBLC3887
PubChem 73489

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