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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL244236
CHEMBL244236
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H23FN4O4

Additional synonyms for CHEMBL244236 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1CCOCC1C2=NC(=C(O)C(=O)N2C)C(=O)NCc3ccc(F)c(C)c3
Standard InChI InChI=1S/C19H23FN4O4/c1-11-8-12(4-5-13(11)20)9-21-18(26)15-1 ...
Download InChI
Standard InChI Key ZLEJGMIGIZTIGO-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL244236

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
390.4 390.1703 0.87 4 96.69 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 2 0 8 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.5 5.57 1.64 -.74 2 28 0.8

Structural Alerts

There are 1 structural alerts for CHEMBL244236. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZLEJGMIGIZTIGO-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL244236



BindingDB 22660
PubChem 54677529
PubChem: Thomson Pharma 46486049

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