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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL157937
CHEMBL157937
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C18H29NO

Additional synonyms for CHEMBL157937 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCN(CCC)[C@H]1CCc2c(OC)cccc2[C@H]1C
Standard InChI InChI=1S/C18H29NO/c1-5-12-19(13-6-2)17-11-10-16-15(14(17)3)8 ...
Download InChI
Standard InChI Key BTOJYCTUJJHANF-PBHICJAKSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL157937

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
275.4 275.2249 4.24 6 12.47 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.49 4.73 2.67 1 20 0.77

Structural Alerts

There are 1 structural alerts for CHEMBL157937. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BTOJYCTUJJHANF-PBHICJAKSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL157937



ACToR 95999-11-4
IBM Patent System B898E0D442AB2EC0D9A4A20ACEF94698
Nikkaji J449.697C
PubChem 123696
ZINC ZINC000002568236

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