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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2425769
CHEMBL2425769
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H10Cl2F3N3O

Additional synonyms for CHEMBL2425769 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(\C=C\c2c(Cl)cncc2Cl)c3cc(nn13)C(F)(F)F
Standard InChI InChI=1S/C16H10Cl2F3N3O/c1-25-15-5-3-9(2-4-10-11(17)7-22-8-1 ...
Download InChI
Standard InChI Key CMHSUVQOBHWOJF-DUXPYHPUSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2425769

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
388.2 387.0153 5.23 3 39.42 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 0 1 4 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- .2 4.19 4.19 3 25 0.62

Structural Alerts

There are 2 structural alerts for CHEMBL2425769. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CMHSUVQOBHWOJF-DUXPYHPUSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2425769



PubChem 24798273
PubChem: Thomson Pharma 49742160
SureChEMBL SCHEMBL4127689
ZINC ZINC000096933408

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