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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL202932
CHEMBL202932
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H22NO6PS

Additional synonyms for CHEMBL202932 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(cc1)c2ccc(cc2)S(=O)(=O)N[C@@H](C(C)C)P(=O)(O)O
Standard InChI InChI=1S/C17H22NO6PS/c1-12(2)17(25(19,20)21)18-26(22,23)16-1 ...
Download InChI
Standard InChI Key BZVYQWLRCHLAGK-QGZVFWFLSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL202932

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
399.4 399.0905 2.74 7 131.12 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 3 0 7 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.36 - 2.88 -1.14 2 26 0.61

Structural Alerts

There are 5 structural alerts for CHEMBL202932. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BZVYQWLRCHLAGK-QGZVFWFLSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL202932



BindingDB 12072
Brenda 67569 141907
PDBe FIN
PubChem 6852147
PubChem: Thomson Pharma 16677213
ZINC ZINC000013680267

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