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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL341849
CHEMBL341849
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C28H32F2N6O6

Additional synonyms for CHEMBL341849 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COC(=O)C1=C(C)NC(=O)N(C1c2ccc(F)c(F)c2)C(=O)NCCCN3CCN(C[C@H] ...
Download SMILES
Standard InChI InChI=1S/C28H32F2N6O6/c1-17-16-34(22-7-4-5-8-23(22)36(40)41) ...
Download InChI
Standard InChI Key JCWKQYAUPMXURC-SMFUYQKNSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL341849

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
586.6 586.2351 3.56 9 140.03 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 2 1 12 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.6 7.92 3.9 3.68 2 42 0.2

Structural Alerts

There are 7 structural alerts for CHEMBL341849. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JCWKQYAUPMXURC-SMFUYQKNSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL341849



BindingDB 50082851
PubChem 10698570
PubChem: Thomson Pharma 15732555

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