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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1492702
CHEMBL1492702
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C13H16N2O3S

Additional synonyms for CHEMBL1492702 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)\C=C\1/C(=O)N(CS1(=O)=O)c2ccc(C)cc2
Standard InChI InChI=1S/C13H16N2O3S/c1-10-4-6-11(7-5-10)15-9-19(17,18)12(13 ...
Download InChI
Standard InChI Key BSQIADCBLJDKBB-XYOKQWHBSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1492702

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
280.4 280.0882 1.12 2 57.69 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 0 0 5 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 1.66 1.21 1.21 1 19 0.76

Structural Alerts

There are 3 structural alerts for CHEMBL1492702. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BSQIADCBLJDKBB-XYOKQWHBSA-N
PubChem SID: 17411206

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1492702



LINCS LSM-43833
Mcule MCULE-8735298889
MolPort MolPort-002-870-566
PubChem 5524335
ZINC ZINC000061869137

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