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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL343471
CHEMBL343471
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H19FN4O2

Additional synonyms for CHEMBL343471 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccc(cc1)C(=O)N2CCc3nc(O)n4cc(nc4c3C2)c5ccccc5F
Standard InChI InChI=1S/C23H19FN4O2/c1-14-6-8-15(9-7-14)22(29)27-11-10-19-1 ...
Download InChI
Standard InChI Key DVLSPCACOOOPDP-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL343471

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
402.4 402.1492 3.75 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
- 7.9 4.1 1.5 4 30 0.55

Structural Alerts

There are no structural alerts for CHEMBL343471

Compound Cross References

ChemSpider ChemSpider:DVLSPCACOOOPDP-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL343471



BindingDB 50120808
PubChem 44364734
ZINC ZINC000027554256

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