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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2430565
CHEMBL2430565
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H15NO3S

Additional synonyms for CHEMBL2430565 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccsc1C(=O)NCCc2ccc(cc2)C(=O)O
Standard InChI InChI=1S/C15H15NO3S/c1-10-7-9-20-13(10)14(17)16-8-6-11-2-4-1 ...
Download InChI
Standard InChI Key GRRZLFLOEUPUQM-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2430565

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
289.4 289.0773 2.73 5 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
4.29 - 1.52 -1.32 2 20 0.89

Structural Alerts

There are no structural alerts for CHEMBL2430565

Compound Cross References

ChemSpider ChemSpider:GRRZLFLOEUPUQM-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2430565



eMolecules 30641032
Mcule MCULE-3623577272
MolPort MolPort-005-396-159
PubChem 43233742
ZINC ZINC000013442475

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