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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1672623
CHEMBL1672623
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H15FN4O

Additional synonyms for CHEMBL1672623 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Fc1ccccc1c2nc(NC(=O)C3CC3)cnc2c4ccncc4
Standard InChI InChI=1S/C19H15FN4O/c20-15-4-2-1-3-14(15)18-17(12-7-9-21-10- ...
Download InChI
Standard InChI Key GTPWPCYIYPRNLK-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1672623

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
334.4 334.123 2.89 4 67.77 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.93 1.22 2.41 2.41 3 25 0.8

Structural Alerts

There are no structural alerts for CHEMBL1672623

Compound Cross References

ChemSpider ChemSpider:GTPWPCYIYPRNLK-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1672623



BindingDB 50336991
IBM Patent System 9734D8D04647D985DA97177BABD0B0E5
PubChem 16071901
PubChem: Thomson Pharma 24714442
SureChEMBL SCHEMBL3075684
ZINC ZINC000035000471

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