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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL257726
CHEMBL257726
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H21NO3S

Additional synonyms for CHEMBL257726 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC[C@H](S)C(=O)N[C@@H](Cc1ccc(cc1)c2ccccc2)C(=O)O
Standard InChI InChI=1S/C19H21NO3S/c1-2-17(24)18(21)20-16(19(22)23)12-13-8- ...
Download InChI
Standard InChI Key HDIPKMHZRNJMPR-IRXDYDNUSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL257726

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
343.5 343.1242 3.17 7 66.4 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 3 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.51 - 2.72 -.95 2 24 0.68

Structural Alerts

There are 7 structural alerts for CHEMBL257726. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HDIPKMHZRNJMPR-IRXDYDNUSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL257726



BindingDB 50411731
Brenda 24682
PubChem 44455016
ZINC ZINC000029128447

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