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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2323511
CHEMBL2323511
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C21H21ClN2O5S

Additional synonyms for CHEMBL2323511 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc2c(c1)c(C)c(CCC(=O)NS(=O)(=O)C)n2C(=O)c3ccc(Cl)cc3
Standard InChI InChI=1S/C21H21ClN2O5S/c1-13-17-12-16(29-2)8-9-19(17)24(21(2 ...
Download InChI
Standard InChI Key PLYKGAOPLXCEPT-UHFFFAOYSA-N

Sources

  • BindingDB Database
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2323511

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
448.9 448.086 3.31 6 94.47 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 0 7 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.51 - 4 2.05 3 30 0.62

Structural Alerts

There are 1 structural alerts for CHEMBL2323511. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PLYKGAOPLXCEPT-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2323511



BindingDB 50427619
Brenda 216367
Nikkaji J3.133.964B
PubChem 71523527
PubChem: Thomson Pharma 163516517
ZINC ZINC000095585100

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