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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL152232
CHEMBL152232
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C9H19NO3

Additional synonyms for CHEMBL152232 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCN1CC(O)C(O)C(O)C1
Standard InChI InChI=1S/C9H19NO3/c1-2-3-4-10-5-7(11)9(13)8(12)6-10/h7-9,11- ...
Download InChI
Standard InChI Key HEYWGMZXBVJFJO-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL152232

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
189.3 189.1365 -0.82 3 63.93 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 3 0 4 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.72 7.41 .16 -.22 0 13 0.54

Structural Alerts

There are no structural alerts for CHEMBL152232

Compound Cross References

ChemSpider ChemSpider:HEYWGMZXBVJFJO-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL152232



BindingDB 50288855
PubChem 44368239
SureChEMBL SCHEMBL3378984

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