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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1774087
CHEMBL1774087
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H29FN4O2

Additional synonyms for CHEMBL1774087 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Fc1cccc2cccc(N3CCN(CCCCOc4ccc5CCC(=O)Nc5n4)CC3)c12
Standard InChI InChI=1S/C26H29FN4O2/c27-21-7-3-5-19-6-4-8-22(25(19)21)31-16 ...
Download InChI
Standard InChI Key PNRXQZLTVQCRMF-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1774087

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
448.5 448.2275 4.24 7 57.7 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
12.79 7.68 3.18 2.68 3 33 0.55

Structural Alerts

There are 1 structural alerts for CHEMBL1774087. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PNRXQZLTVQCRMF-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1774087



BindingDB 50343284
IBM Patent System 0024106103CE71D190B710A03F301746
PubChem 11633739
PubChem: Thomson Pharma 16736910
SureChEMBL SCHEMBL4759674
ZINC ZINC000035971574

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