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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL64996
CHEMBL64996
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H15NO3S

Additional synonyms for CHEMBL64996 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CO\C(=N/S(=O)(=O)c1ccc(C)cc1)\c2ccccc2
Standard InChI InChI=1S/C15H15NO3S/c1-12-8-10-14(11-9-12)20(17,18)16-15(19- ...
Download InChI
Standard InChI Key UZTMHPISHVUITN-NXVVXOECSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL64996

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 2.78 3 55.73 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 0 0 4 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 3.55 3.55 2 20 0.64

Structural Alerts

There are 2 structural alerts for CHEMBL64996. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UZTMHPISHVUITN-NXVVXOECSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL64996



Nikkaji J3.105.228I
PubChem 9655095
ZINC ZINC000003123823

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