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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL486688
CHEMBL486688
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H27F3N6O4S

Additional synonyms for CHEMBL486688 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCN1C(=O)Nc2nc([nH]c2C1=O)c3ccc(cc3)S(=O)(=O)N4CCN(Cc5cccc( ...
Download SMILES
Standard InChI InChI=1S/C26H27F3N6O4S/c1-2-10-35-24(36)21-23(32-25(35)37)31 ...
Download InChI
Standard InChI Key DXXSLNCEWQRJBH-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL486688

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
576.6 576.1767 3.89 8 127.08 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 1 10 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.37 5.07 4.85 2.86 3 40 0.42

Structural Alerts

There are 1 structural alerts for CHEMBL486688. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DXXSLNCEWQRJBH-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL486688



BindingDB 50268165
PubChem 44186669
PubChem: Thomson Pharma 85182088
ZINC ZINC000049877708

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