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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL19679
CHEMBL19679
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H27NO2

Additional synonyms for CHEMBL19679 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(Oc1ccc(C)c(C)c1)C(O)CNC(C)(C)C
Standard InChI InChI=1S/C16H27NO2/c1-11-7-8-14(9-12(11)2)19-13(3)15(18)10-1 ...
Download InChI
Standard InChI Key CLPPOWPFUZBPDZ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL19679

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
265.4 265.2042 2.82 5 41.49 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 3 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.62 3.54 1.27 1 19 0.86

Structural Alerts

There are 1 structural alerts for CHEMBL19679. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CLPPOWPFUZBPDZ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL19679



PubChem 12415528

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