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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2179099
CHEMBL2179099
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C22H26FN5O2

Additional synonyms for CHEMBL2179099 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H]1CN(Cc2ccc(F)cc2)C[C@H]1C3=Nc4c(cnn4C5CCOCC5)C(=O)N3
Standard InChI InChI=1S/C22H26FN5O2/c1-14-11-27(12-15-2-4-16(23)5-3-15)13-1 ...
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Standard InChI Key GGDJPBJMQBKBTC-AUUYWEPGSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2179099

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
411.5 411.2071 2.85 4 76.04 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 0 7 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.34 - 1.51 .23 3 30 0.71

Structural Alerts

There are no structural alerts for CHEMBL2179099

Compound Cross References

ChemSpider ChemSpider:GGDJPBJMQBKBTC-AUUYWEPGSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2179099



BindingDB 50397844
IBM Patent System 6A6634B24F3ECA1F737773E487EA5FFA
PubChem: Thomson Pharma 56438559
SureChEMBL SCHEMBL1716551
ZINC ZINC000095572326

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