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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL11273
CHEMBL11273
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C22H25NO4S

Additional synonyms for CHEMBL11273 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C(CSC(=O)C)C(=O)NCC(=O)OCc1ccccc1)c2ccccc2
Standard InChI InChI=1S/C22H25NO4S/c1-16(19-11-7-4-8-12-19)20(15-28-17(2)24 ...
Download InChI
Standard InChI Key JKNKIERNRHMTPX-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL11273

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
399.5 399.1504 3.55 9 72.47 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.43 - 4.09 4.09 2 28 0.65

Structural Alerts

There are 8 structural alerts for CHEMBL11273. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JKNKIERNRHMTPX-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL11273



Nikkaji J588.291E
PubChem 10000998
PubChem: Thomson Pharma 14980719
SureChEMBL SCHEMBL8578314

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