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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL178374
CHEMBL178374
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H13Cl3F3N3S

Additional synonyms for CHEMBL178374 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES FC(F)(F)c1nc(Nc2c(Cl)cc(Cl)cc2Cl)sc1CNCC3CC3
Standard InChI InChI=1S/C15H13Cl3F3N3S/c16-8-3-9(17)12(10(18)4-8)23-14-24-1 ...
Download InChI
Standard InChI Key XMQSNNPHJNAYEO-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL178374

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
430.7 428.9848 6.37 6 36.95 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 1 3 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.84 3.96 3.45 2 25 0.56

Structural Alerts

There are 2 structural alerts for CHEMBL178374. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XMQSNNPHJNAYEO-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL178374



BindingDB 50158119
PubChem 44389083
ZINC ZINC000028129813

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