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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL15863
CHEMBL15863
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H17NOS

Additional synonyms for CHEMBL15863 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1CC(c2ccc(O)cc2)c3cc(C)sc3C1
Standard InChI InChI=1S/C15H17NOS/c1-10-7-13-14(8-16(2)9-15(13)18-10)11-3-5 ...
Download InChI
Standard InChI Key WYVRMOFIAKWKNH-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL15863

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
259.4 259.1031 3.34 1 23.47 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.01 7.66 2.22 1.77 2 18 0.85

Structural Alerts

There are no structural alerts for CHEMBL15863

Compound Cross References

ChemSpider ChemSpider:WYVRMOFIAKWKNH-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL15863



PubChem 44270373

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