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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1794814
CHEMBL1794814
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H26FN3O8

Additional synonyms for CHEMBL1794814 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(Cc1ccccc1)Cc2c[nH]c(n2)c3cccc(F)c3.OC(=O)\C=C/C(=O)O.OC(= ...
Download SMILES
Standard InChI InChI=1S/C18H18FN3.2C4H4O4/c1-22(12-14-6-3-2-4-7-14)13-17-11 ...
Download InChI
Standard InChI Key KRZYVHFZRHATQV-SPIKMXEPSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1794814

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
295.4 295.1485 3.85 5 31.92 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.24 6.78 2.99 2.88 3 22 0.78

Structural Alerts

There are no structural alerts for CHEMBL1794814

Compound Cross References

ChemSpider ChemSpider:KRZYVHFZRHATQV-SPIKMXEPSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1794814



PubChem 56672907

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