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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL107646
CHEMBL107646
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H31FN4O5S

Additional synonyms for CHEMBL107646 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCN1C(=O)N(CCCCC(=O)c2ccc(cc2)S(=O)(=O)F)c3[nH]c(nc3C1=O)C4 ...
Download SMILES
Standard InChI InChI=1S/C26H31FN4O5S/c1-2-12-31-25(33)22-24(29-23(28-22)20- ...
Download InChI
Standard InChI Key CUPRZGLGSKHKRQ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL107646

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
530.6 530.1999 3.91 10 123.89 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 1 1 9 1 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.9 2.1 5.86 5.85 3 37 0.24

Structural Alerts

There are 17 structural alerts for CHEMBL107646. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CUPRZGLGSKHKRQ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL107646



BindingDB 50120221
PubChem 44337955

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