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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL240053
CHEMBL240053
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H17FN2OS

Additional synonyms for CHEMBL240053 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Fc1ccccc1NC2=NC(=O)C(S2)C3CCCCC3
Standard InChI InChI=1S/C15H17FN2OS/c16-11-8-4-5-9-12(11)17-15-18-14(19)13( ...
Download InChI
Standard InChI Key LNTPIJKTSOLDCO-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL240053

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
292.4 292.1046 3.82 2 41.46 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- .82 4.37 4.37 1 20 0.9

Structural Alerts

There are no structural alerts for CHEMBL240053

Compound Cross References

ChemSpider ChemSpider:LNTPIJKTSOLDCO-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL240053



PubChem 44435157
SureChEMBL SCHEMBL1605099

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