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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL369225
CHEMBL369225
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C28H22FN5O2

Additional synonyms for CHEMBL369225 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)C(=O)n1cc(C(=O)c2ccc(Cn3c(C)nc4cnccc34)c(F)c2)c5c(cccc1 ...
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Standard InChI InChI=1S/C28H22FN5O2/c1-5-18-7-6-8-25-26(18)21(16-34(25)28(3 ...
Download InChI
Standard InChI Key GDLNHSUSOZEAOR-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL369225

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
479.5 479.1758 4.62 4 73.02 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 0 0 7 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 6.32 3.81 3.77 5 36 0.28

Structural Alerts

There are 3 structural alerts for CHEMBL369225. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GDLNHSUSOZEAOR-UHFFFAOYSA-N
PubChem SID: 29217491

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL369225



BindingDB 50062054
EPA CompTox Dashboard DTXSID40168870
FDA SRS AYB44L739V
Guide to Pharmacology 1850
IBM Patent System 56C19400D0BFE8799C5FF5CE769D52D7
Nikkaji J827.559I
PDBe 9EU
PubChem 154087
PubChem: Thomson Pharma 14883406
SureChEMBL SCHEMBL7496969
ZINC ZINC000000600747

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