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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2425743
CHEMBL2425743
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H9Cl2F3N4O2

Additional synonyms for CHEMBL2425743 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OCc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c3cc(nn13)C(F)(F)F
Standard InChI InChI=1S/C15H9Cl2F3N4O2/c16-9-4-21-5-10(17)13(9)22-14(26)8-2 ...
Download InChI
Standard InChI Key UFEHEJFNANDFOX-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2425743

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
405.2 404.0055 3.8 3 79.52 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 6 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
6.15 .2 -.2 -1.48 3 26 0.7

Structural Alerts

There are 1 structural alerts for CHEMBL2425743. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UFEHEJFNANDFOX-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2425743



IBM Patent System AAB49FC3F9F95ED0ACF5B413634318C0
PubChem 24772512
PubChem: Thomson Pharma 49694515
SureChEMBL SCHEMBL13425145
ZINC ZINC000096933202

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