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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL61630
CHEMBL61630
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H30N2O5

Additional synonyms for CHEMBL61630 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC[C@@H]1CN2CC[C@@]3(O)C(=Nc4cccc(OC)c34)[C@@H]2C[C@@H]1\C(= ...
Download SMILES
Standard InChI InChI=1S/C23H30N2O5/c1-5-14-12-25-10-9-23(27)20-17(7-6-8-19( ...
Download InChI
Standard InChI Key RYENLSMHLCNXJT-CYXFISRXSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL61630

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
414.5 414.2155 2.12 6 80.59 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 1 0 7 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.2 5.89 1.27 1.24 1 30 0.43

Structural Alerts

There are 7 structural alerts for CHEMBL61630. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RYENLSMHLCNXJT-CYXFISRXSA-N
Wikipedia 7-Hydroxymitragynine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL61630



FDA SRS 2T3TWA75R0
Nikkaji J670.660F
PubChem 44301524
SureChEMBL SCHEMBL11986821
ZINC ZINC000013473311

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