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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1909423
CHEMBL1909423
Compound Name CORYNOXINE B
ChEMBL Synonyms Corynoxine B
Max Phase 0
Trade Names
Molecular Formula C22H28N2O4

Additional synonyms for CHEMBL1909423 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC[C@@H]1CN2CC[C@@]3([C@@H]2C[C@@H]1\C(=C/OC)\C(=O)OC)C(=O)N ...
Download SMILES
Standard InChI InChI=1S/C22H28N2O4/c1-4-14-12-24-10-9-22(17-7-5-6-8-18(17)2 ...
Download InChI
Standard InChI Key DAXYUDFNWXHGBE-XYEDMTIPSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1909423

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
384.5 384.2049 2.7 4 67.87 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 6 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.61 8.49 1.63 .51 1 28 0.49

Structural Alerts

There are 7 structural alerts for CHEMBL1909423. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DAXYUDFNWXHGBE-XYEDMTIPSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1909423



ChEBI 70070
Metabolights MTBLC70070
MolPort MolPort-046-417-454
PubChem 10091424
PubChem: Thomson Pharma 15078615
SureChEMBL SCHEMBL17531564
ZINC ZINC000017149644

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