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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2425746
CHEMBL2425746
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H10Cl2F2N4O2

Additional synonyms for CHEMBL2425746 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c3cc(nn13)C(F)F
Standard InChI InChI=1S/C15H10Cl2F2N4O2/c1-25-12-3-2-7(11-4-10(14(18)19)22- ...
Download InChI
Standard InChI Key MFILFHJGVHTMEW-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2425746

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
387.2 386.0149 4.23 4 68.52 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 6 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
5.74 .16 1.16 -.42 3 25 0.73

Structural Alerts

There are 1 structural alerts for CHEMBL2425746. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MFILFHJGVHTMEW-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2425746



IBM Patent System AA6391518A65AC487C97C7D6DEFDD7CF
PubChem 24772514
PubChem: Thomson Pharma 49694517
SureChEMBL SCHEMBL13425108
ZINC ZINC000096933205

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