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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL361227
CHEMBL361227
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H8FN5

Additional synonyms for CHEMBL361227 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Fc1ccc(Nc2[nH]cnc3ncnc23)cc1
Standard InChI InChI=1S/C11H8FN5/c12-7-1-3-8(4-2-7)17-11-9-10(14-5-13-9)15- ...
Download InChI
Standard InChI Key SCRHVVOELSYCSO-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL361227

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
229.2 229.0764 2.19 2 66.49 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.04 -.72 -2.06 1 17 0.71

Structural Alerts

There are no structural alerts for CHEMBL361227

Compound Cross References

ChemSpider ChemSpider:SCRHVVOELSYCSO-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL361227



ACToR 73663-95-3
BindingDB 50326427
eMolecules 4934115
EPA CompTox Dashboard DTXSID30223881
IBM Patent System AC04E05003CE6B1BAEB7CC01A0E7676A
Mcule MCULE-4473351115
MolPort MolPort-000-384-310
Nikkaji J90.480E
PubChem 51998
PubChem: Thomson Pharma 15220637
SureChEMBL SCHEMBL4922514
ZINC ZINC000004692584

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