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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL356806
CHEMBL356806
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C22H16F2N4O2

Additional synonyms for CHEMBL356806 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1nc2CCN(Cc2c3nc(cn13)c4ccccc4F)C(=O)c5cccc(F)c5
Standard InChI InChI=1S/C22H16F2N4O2/c23-14-5-3-4-13(10-14)21(29)27-9-8-18- ...
Download InChI
Standard InChI Key OIFHTMLNBMLSPV-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL356806

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
406.4 406.1241 3.58 2 70.73 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 6 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.79 3.99 1.43 4 30 0.55

Structural Alerts

There are no structural alerts for CHEMBL356806

Compound Cross References

ChemSpider ChemSpider:OIFHTMLNBMLSPV-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL356806



BindingDB 50120777
PubChem 44364907
ZINC ZINC000027557355

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