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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1672631
CHEMBL1672631
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H14F2N4O

Additional synonyms for CHEMBL1672631 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Fc1ccccc1c2nc(NC(=O)C3CC3)cnc2c4ccncc4F
Standard InChI InChI=1S/C19H14F2N4O/c20-14-4-2-1-3-12(14)18-17(13-7-8-22-9- ...
Download InChI
Standard InChI Key SVYGTBODIFTCOZ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1672631

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
352.3 352.1136 3.1 4 67.77 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.74 - 2.55 2.55 3 26 0.78

Structural Alerts

There are no structural alerts for CHEMBL1672631

Compound Cross References

ChemSpider ChemSpider:SVYGTBODIFTCOZ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1672631



BindingDB 50336996
IBM Patent System 6D3958D91105A9DA66AA76AA2B15CC96
PubChem 53324032
SureChEMBL SCHEMBL3068230
ZINC ZINC000066065902

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