ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL523312
CHEMBL523312
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H25ClN2O6S

Additional synonyms for CHEMBL523312 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1(C)Oc2ccc(cc2[C@H]([C@@H]1O)N3Oc4cc(Cl)ccc4C3=O)S(=O)(=O) ...
Download SMILES
Standard InChI InChI=1S/C23H25ClN2O6S/c1-23(2)21(27)20(26-22(28)16-8-6-14(2 ...
Download InChI
Standard InChI Key FZWMAJYKWJFEHI-RTWAWAEBSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL523312

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
493 492.1122 3.21 3 104.76 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 0 8 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13 - 4.67 4.67 2 33 0.71

Structural Alerts

There are 1 structural alerts for CHEMBL523312. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FZWMAJYKWJFEHI-RTWAWAEBSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL523312



BindingDB 50247833
IBM Patent System BBE30F98A2802C49FD65F8998D26B7B1
PubChem 44564422
SureChEMBL SCHEMBL3442654
ZINC ZINC000040949915

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