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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL392060
CHEMBL392060
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H36ClN3O5S

Additional synonyms for CHEMBL392060 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c2ccc(Cl)cc2)C3(CC3)OC(=O)N4CC ...
Download SMILES
Standard InChI InChI=1S/C25H36ClN3O5S/c1-2-19-4-3-5-23(29(19)35(32,33)22-10 ...
Download InChI
Standard InChI Key LXOFZYZTCPEGNV-ZDTVFLJBSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL392060

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
526.1 525.2064 3.47 7 90.39 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 1 8 1 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.85 4.67 4.16 1 35 0.59

Structural Alerts

There are 2 structural alerts for CHEMBL392060. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LXOFZYZTCPEGNV-ZDTVFLJBSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL392060



BindingDB 50220275
PubChem 44435384

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