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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL140908
CHEMBL140908
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H22N2O3S

Additional synonyms for CHEMBL140908 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)(C)NCC(O)COc1cccc2NC(=O)CSc12
Standard InChI InChI=1S/C15H22N2O3S/c1-15(2,3)16-7-10(18)8-20-12-6-4-5-11-1 ...
Download InChI
Standard InChI Key SWWQDUZAPYPHEI-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL140908

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
310.4 310.1351 1.86 5 70.59 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.5 9.49 1.83 -.22 1 21 0.77

Structural Alerts

There are 1 structural alerts for CHEMBL140908. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SWWQDUZAPYPHEI-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL140908



ACToR 133647-19-5
BindingDB 50086673
Nikkaji J1.266.846E
PubChem 131645

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