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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL373700
CHEMBL373700
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H25FN8O2

Additional synonyms for CHEMBL373700 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1nc(nc2nc(nn12)c3occc3)N4CCN5C[C@@H](COc6cccc(F)c6)CC[C@H] ...
Download SMILES
Standard InChI InChI=1S/C23H25FN8O2/c24-16-3-1-4-18(11-16)34-14-15-6-7-17-1 ...
Download InChI
Standard InChI Key FARQWWRBQXFTDH-RDJZCZTQSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL373700

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
464.5 464.2085 2.48 5 110.84 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 1 0 10 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.29 3.94 3.78 4 34 0.48

Structural Alerts

There are 1 structural alerts for CHEMBL373700. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FARQWWRBQXFTDH-RDJZCZTQSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL373700



BindingDB 50156616
PubChem 11784529
PubChem: Thomson Pharma 16894954
ZINC ZINC000013585815

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