ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1303822
CHEMBL1303822
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H15NO3S

Additional synonyms for CHEMBL1303822 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(NC(=O)c1ccc(C)s1)c2ccc3OCOc3c2
Standard InChI InChI=1S/C15H15NO3S/c1-9-3-6-14(20-9)15(17)16-10(2)11-4-5-12 ...
Download InChI
Standard InChI Key FWORVNCRGJKEGT-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1303822

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 3.28 3 47.56 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 3.4 3.4 2 20 0.94

Structural Alerts

There are no structural alerts for CHEMBL1303822

Compound Cross References

ChemSpider ChemSpider:FWORVNCRGJKEGT-UHFFFAOYSA-N
PubChem SID: 14744821

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1303822



eMolecules 3984698
Mcule MCULE-9726506017
MolPort MolPort-001-552-844
PubChem 4243180

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