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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL482855
CHEMBL482855
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H30N6O5S

Additional synonyms for CHEMBL482855 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(Cc5ccc(O ...
Download SMILES
Standard InChI InChI=1S/C26H30N6O5S/c1-3-12-32-25(33)22-24(29-26(32)34)28-2 ...
Download InChI
Standard InChI Key JRKZOGRRHIRUCN-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL482855

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
538.6 538.1998 2.93 8 136.32 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 2 1 11 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.37 5.31 3.89 1.89 3 38 0.45

Structural Alerts

There are 1 structural alerts for CHEMBL482855. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JRKZOGRRHIRUCN-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL482855



BindingDB 50268209
PubChem 44186717
PubChem: Thomson Pharma 85182135
ZINC ZINC000049872259

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