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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL243366
CHEMBL243366
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H23FN4O4

Additional synonyms for CHEMBL243366 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN1CCOCC1C2=NC(=C(O)C(=O)N2C)C(=O)NCc3ccc(F)cc3
Standard InChI InChI=1S/C19H23FN4O4/c1-3-24-8-9-28-11-14(24)17-22-15(16(25) ...
Download InChI
Standard InChI Key BPIDGVSXOXALBF-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL243366

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 0.95 5 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 5.65 1.68 -.69 2 28 0.79

Structural Alerts

There are 1 structural alerts for CHEMBL243366. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BPIDGVSXOXALBF-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL243366



BindingDB 22648
PubChem 54677506

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