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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1575165
CHEMBL1575165
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H15NO2S

Additional synonyms for CHEMBL1575165 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOc1ccc(cc1)C(=O)NCc2cccs2
Standard InChI InChI=1S/C14H15NO2S/c1-2-17-12-7-5-11(6-8-12)14(16)15-10-13- ...
Download InChI
Standard InChI Key VCHZAXAWEQHJFR-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1575165

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
261.4 261.0823 3.08 5 38.33 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 2.66 2.66 2 18 0.9

Structural Alerts

There are no structural alerts for CHEMBL1575165

Compound Cross References

ChemSpider ChemSpider:VCHZAXAWEQHJFR-UHFFFAOYSA-N
PubChem SID: 4264257

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1575165



eMolecules 2198408
Mcule MCULE-2809140734
MolPort MolPort-001-547-076
PubChem 897479
ZINC ZINC000000475183

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