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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL114294
CHEMBL114294
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H15Cl2NO3S

Additional synonyms for CHEMBL114294 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)CN(C1CCCC1)C(=O)c2cc(Cl)cc(Cl)c2S
Standard InChI InChI=1S/C14H15Cl2NO3S/c15-8-5-10(13(21)11(16)6-8)14(20)17(7 ...
Download InChI
Standard InChI Key WUOIOJVZFNVEAT-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL114294

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
348.3 347.015 3.75 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
3.67 - 4.03 -.71 1 21 0.82

Structural Alerts

There are 5 structural alerts for CHEMBL114294. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WUOIOJVZFNVEAT-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL114294



BindingDB 50020842
IBM Patent System F8CADC8D4D4EE2D5E39AB066BF3046FB
PubChem 20440249
SureChEMBL SCHEMBL11088859
ZINC ZINC000026988816

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