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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL206832
CHEMBL206832
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C21H26ClNO2

Additional synonyms for CHEMBL206832 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)CCC(OC(=O)c1cc(C)c(C)cc1C)c2ccc(Cl)cc2
Standard InChI InChI=1S/C21H26ClNO2/c1-14-12-16(3)19(13-15(14)2)21(24)25-20 ...
Download InChI
Standard InChI Key PRHCORHYTJWCNC-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL206832

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
359.9 359.1652 5.12 6 29.54 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.1 5.96 4.27 2 25 0.67

Structural Alerts

There are 2 structural alerts for CHEMBL206832. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PRHCORHYTJWCNC-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL206832



IBM Patent System F11B883CE0CF742C109A9F6A131A0E83
PubChem 15983319
SureChEMBL SCHEMBL14201578

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