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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL248855
CHEMBL248855
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C28H35F3N2O3S

Additional synonyms for CHEMBL248855 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCN(C1Cc2ccc(SC(C)(C)C(=O)O)cc2C1)C(=O)Nc3cccc(c3)C(F)( ...
Download SMILES
Standard InChI InChI=1S/C28H35F3N2O3S/c1-4-5-6-7-8-14-33(26(36)32-22-11-9-1 ...
Download InChI
Standard InChI Key MOSXKNXXSVFGPW-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL248855

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
536.7 536.232 7.63 11 69.64 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 2 5 2 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.67 - 8.21 4.76 2 37 0.23

Structural Alerts

There are 5 structural alerts for CHEMBL248855. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MOSXKNXXSVFGPW-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL248855



BindingDB 50227706
PubChem 44445456

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