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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL146317
CHEMBL146317
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H19FN4O3

Additional synonyms for CHEMBL146317 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(cc1)C(=O)N2CCc3nc(O)n4cc(nc4c3C2)c5ccccc5F
Standard InChI InChI=1S/C23H19FN4O3/c1-31-15-8-6-14(7-9-15)22(29)27-11-10-1 ...
Download InChI
Standard InChI Key QCGAQTREEQRIAM-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL146317

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
418.4 418.1441 3.45 3 79.96 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 0 7 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.95 3.62 1.02 4 31 0.55

Structural Alerts

There are no structural alerts for CHEMBL146317

Compound Cross References

ChemSpider ChemSpider:QCGAQTREEQRIAM-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL146317



BindingDB 50120774
PubChem 44364725
ZINC ZINC000027557664

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