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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1682560
CHEMBL1682560
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C27H24FN5

Additional synonyms for CHEMBL1682560 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Fc1ccc(cc1)c2ncn(C3CCN(Cc4ccccc4)C3)c2c5ccc6[nH]ncc6c5
Standard InChI InChI=1S/C27H24FN5/c28-23-9-6-20(7-10-23)26-27(21-8-11-25-22 ...
Download InChI
Standard InChI Key PJNPAVYZHHPABL-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1682560

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
437.5 437.2016 5.68 5 49.74 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.51 8.7 4.61 3.3 5 33 0.38

Structural Alerts

There are no structural alerts for CHEMBL1682560

Compound Cross References

ChemSpider ChemSpider:PJNPAVYZHHPABL-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1682560



BindingDB 50337385
IBM Patent System CF58704DDED373E7A1EC631D1946DCC4
PubChem 25165482
PubChem: Thomson Pharma 57271228
SureChEMBL SCHEMBL4292705

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