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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL555787
CHEMBL555787
Compound Name
ChEMBL Synonyms o-methylcorypalline
Max Phase 0
Trade Names
Molecular Formula C12H18BrNO2

Additional synonyms for CHEMBL555787 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Br.COc1cc2CCN(C)Cc2cc1OC
Standard InChI InChI=1S/C12H17NO2.BrH/c1-13-5-4-9-6-11(14-2)12(15-3)7-10(9) ...
Download InChI
Standard InChI Key ZSXIRIJVHHYGLY-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL555787

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
207.3 207.1259 1.95 2 21.7 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.15 .53 -.29 1 15 0.74

Structural Alerts

There are no structural alerts for CHEMBL555787

Compound Cross References

ChemSpider ChemSpider:ZSXIRIJVHHYGLY-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL555787



PubChem 45259910

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