ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL284725
CHEMBL284725
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H33NO

Additional synonyms for CHEMBL284725 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC[C@H]1CC[C@@H]2CC[C@@H](CCCCC[C@H](C)O)N12
Standard InChI InChI=1S/C17H33NO/c1-3-7-15-10-12-17-13-11-16(18(15)17)9-6-4 ...
Download InChI
Standard InChI Key JLXFCRGBJHNVNU-MWDXBVQZSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL284725

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
267.5 267.2562 4.11 8 23.47 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 11.28 4.45 1.42 0 19 0.67

Structural Alerts

There are 2 structural alerts for CHEMBL284725. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JLXFCRGBJHNVNU-MWDXBVQZSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL284725



BindingDB 50089164
Nikkaji J1.342.501I
PubChem 12049954
ZINC ZINC000028756930

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