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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL392144
CHEMBL392144
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H35ClN2O5S

Additional synonyms for CHEMBL392144 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 ...
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Standard InChI InChI=1S/C24H35ClN2O5S/c1-3-19-6-5-7-21(27(19)33(30,31)20-10 ...
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Standard InChI Key IOUDUPKHXQXVDO-TZIWHRDSSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL392144

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
499.1 498.1955 4.57 6 87.15 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 7 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 5.4 5.4 1 33 0.62

Structural Alerts

There are 2 structural alerts for CHEMBL392144. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:IOUDUPKHXQXVDO-TZIWHRDSSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL392144



BindingDB 50220277
IBM Patent System E2E7F62CCE8E585711933FCBB15E806D
PubChem 44435378
SureChEMBL SCHEMBL8264689
ZINC ZINC000028827246

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