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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL484899
CHEMBL484899
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H25FN6O4S

Additional synonyms for CHEMBL484899 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN1C(=O)Nc2nc([nH]c2C1=O)c3ccc(cc3)S(=O)(=O)N4CCN(Cc5cccc(F ...
Download SMILES
Standard InChI InChI=1S/C24H25FN6O4S/c1-2-31-23(32)20-22(28-24(31)33)27-21( ...
Download InChI
Standard InChI Key GLENVIZFDNPZHM-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL484899

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
512.6 512.1642 2.63 6 127.08 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 4.99 3.38 1.39 3 36 0.52

Structural Alerts

There are 1 structural alerts for CHEMBL484899. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GLENVIZFDNPZHM-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL484899



BindingDB 50268149
PubChem 44186625
PubChem: Thomson Pharma 85182043
ZINC ZINC000045495031

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