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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL324242
CHEMBL324242
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H19NO3S

Additional synonyms for CHEMBL324242 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cccc(C(=O)N(CC(=O)O)C2CCCC2)c1S
Standard InChI InChI=1S/C15H19NO3S/c1-10-5-4-8-12(14(10)20)15(19)16(9-13(17 ...
Download InChI
Standard InChI Key HENWJMDWNWIQHK-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL324242

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
293.4 293.1086 2.75 4 57.61 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.71 - 3.16 -1.2 1 20 0.84

Structural Alerts

There are 5 structural alerts for CHEMBL324242. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HENWJMDWNWIQHK-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL324242



BindingDB 50020841
IBM Patent System 0EA311EEFC0D55CC65C78445B8B96861
PubChem 20465231
SureChEMBL SCHEMBL7290560
ZINC ZINC000026977867

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