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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL479262
CHEMBL479262
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C20H17FN6O2

Additional synonyms for CHEMBL479262 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COCC(=O)Nc1nc(c2ccc(F)c(C)n2)c([nH]1)c3ccc4nccnc4c3
Standard InChI InChI=1S/C20H17FN6O2/c1-11-13(21)4-6-15(24-11)19-18(26-20(27 ...
Download InChI
Standard InChI Key KONHKQGHKVXMTF-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL479262

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
392.4 392.1397 3.11 5 105.68 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 0 8 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.73 2.24 .86 .69 4 29 0.54

Structural Alerts

There are no structural alerts for CHEMBL479262

Compound Cross References

ChemSpider ChemSpider:KONHKQGHKVXMTF-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL479262



BindingDB 50255231
PubChem 44570788
ZINC ZINC000040935335

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