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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL265629
CHEMBL265629
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H23FN8O

Additional synonyms for CHEMBL265629 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Fc1cccc(Cn2ncc3cc(Nc4ncnn5ccc(CN6CCNC(=O)C6)c45)ccc23)c1
Standard InChI InChI=1S/C25H23FN8O/c26-20-3-1-2-17(10-20)13-34-22-5-4-21(11 ...
Download InChI
Standard InChI Key BVMZNZPGSFCWPC-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL265629

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
470.5 470.1979 2.94 6 92.38 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 2 0 9 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 6.95 2.54 2.52 5 35 0.4

Structural Alerts

There are no structural alerts for CHEMBL265629

Compound Cross References

ChemSpider ChemSpider:BVMZNZPGSFCWPC-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL265629



BindingDB 50208415
IBM Patent System 72AAD13D7BC197E4B822FB9675827F2E
PubChem 10227095
PubChem: Thomson Pharma 15228065
SureChEMBL SCHEMBL2444999
ZINC ZINC000028817164

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