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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2448182
CHEMBL2448182
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H23NO4

Additional synonyms for CHEMBL2448182 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NCC1CCC(CC1)C(=O)Oc2ccc(CCC(=O)O)cc2
Standard InChI InChI=1S/C17H23NO4/c18-11-13-1-6-14(7-2-13)17(21)22-15-8-3-1 ...
Download InChI
Standard InChI Key FHRSHSOEWXUORL-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL2448182

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
305.4 305.1627 2.37 6 89.62 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 5 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.61 10.27 1.28 -1.22 1 22 0.62

Structural Alerts

There are 3 structural alerts for CHEMBL2448182. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FHRSHSOEWXUORL-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2448182



BindingDB 66826
ChEBI 94638
IBM Patent System D16C758D290AA73198E38F9B9C69D1DF
PubChem 25201854 2680
SureChEMBL SCHEMBL476429
ZINC ZINC000000001112

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