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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2420701
CHEMBL2420701
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H14FN3O

Additional synonyms for CHEMBL2420701 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cn1cc(c2ccnc(CO)c2)c(n1)c3ccc(F)cc3
Standard InChI InChI=1S/C16H14FN3O/c1-20-9-15(12-6-7-18-14(8-12)10-21)16(19 ...
Download InChI
Standard InChI Key HRZWHDGMDXCUTR-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2420701

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
283.3 283.1121 2.78 3 50.94 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.32 4.07 2.98 2.98 3 21 0.8

Structural Alerts

There are no structural alerts for CHEMBL2420701

Compound Cross References

ChemSpider ChemSpider:HRZWHDGMDXCUTR-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2420701



BindingDB 50439434
Nikkaji J3.331.056K
PubChem 73293373
ZINC ZINC000096283192

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