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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL491479
CHEMBL491479
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C22H25ClN2O6S

Additional synonyms for CHEMBL491479 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN(CC)S(=O)(=O)c1ccc2OC(C)(C)[C@@H](O)[C@H](N3Oc4ccc(Cl)cc4 ...
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Standard InChI InChI=1S/C22H25ClN2O6S/c1-5-24(6-2)32(28,29)14-8-10-17-15(12 ...
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Standard InChI Key OINNSETUQQXMNK-UXHICEINSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL491479

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
481 480.1122 3.4 5 101.98 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 1 0 8 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.06 - 4.5 4.5 3 32 0.6

Structural Alerts

There are 1 structural alerts for CHEMBL491479. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OINNSETUQQXMNK-UXHICEINSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL491479



BindingDB 50247834
IBM Patent System 084AF81110E97F89854F053A71E23E0F
PubChem 44564423
SureChEMBL SCHEMBL481929
ZINC ZINC000040950152

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