ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1163255
CHEMBL1163255
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H23NO3

Additional synonyms for CHEMBL1163255 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCC[C@@H]1N[C@H](CO)[C@H](O)[C@H](O)[C@H]1C
Standard InChI InChI=1S/C11H23NO3/c1-3-4-5-8-7(2)10(14)11(15)9(6-13)12-8/h7 ...
Download InChI
Standard InChI Key CAVTXTZKYKUABF-DAWVFNFOSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1163255

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
217.3 217.1678 -0.13 4 72.72 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 4 0 4 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.62 1.72 .52 0 15 0.53

Structural Alerts

There are no structural alerts for CHEMBL1163255

Compound Cross References

ChemSpider ChemSpider:CAVTXTZKYKUABF-DAWVFNFOSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1163255



BindingDB 50320826
PubChem 46906930
ZINC ZINC000049583101

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