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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL11967
CHEMBL11967
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H25NO3S

Additional synonyms for CHEMBL11967 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CSCCCCC\C=C(/NC(=O)C1CC1(C)C)\C(=O)O
Standard InChI InChI=1S/C15H25NO3S/c1-15(2)10-11(15)13(17)16-12(14(18)19)8- ...
Download InChI
Standard InChI Key UIFQYSQJZYNAKO-WQLSENKSSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL11967

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
299.4 299.1555 3.04 9 66.4 ACID


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.13 - 2.14 -1.07 0 20 0.51

Structural Alerts

There are 7 structural alerts for CHEMBL11967. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UIFQYSQJZYNAKO-WQLSENKSSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL11967



BindingDB 50024012
PubChem 13505578
SureChEMBL SCHEMBL9748180

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