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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL50490
CHEMBL50490
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C33H32F2N4O4

Additional synonyms for CHEMBL50490 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Fc1ccc(cc1F)C2N(C(=O)NCCCN3CCC(CC3)(c4ccccc4)c5ccccc5)C(=O)N ...
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Standard InChI InChI=1S/C33H32F2N4O4/c34-25-13-12-22(20-26(25)35)29-28-27(2 ...
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Standard InChI Key LUSDCJGCJWYOSQ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL50490

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
586.6 586.2392 5.02 7 90.98 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 2 8 2 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.19 8.88 3.22 1.88 3 43 0.3

Structural Alerts

There are 3 structural alerts for CHEMBL50490. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LUSDCJGCJWYOSQ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL50490



BindingDB 50085002
Nikkaji J1.232.663G
PubChem 44295133

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