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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2431010
CHEMBL2431010
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H16NO5PS

Additional synonyms for CHEMBL2431010 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(O)C(=O)CSC(c1ccc(C)cc1)P(=O)(O)O
Standard InChI InChI=1S/C11H16NO5PS/c1-8-3-5-9(6-4-8)11(18(15,16)17)19-7-10 ...
Download InChI
Standard InChI Key YZELONIJQXNWSP-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2431010

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
305.3 305.0487 1.75 5 98.07 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 3 0 6 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.42 - .72 -3.37 1 19 0.44

Structural Alerts

There are 8 structural alerts for CHEMBL2431010. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YZELONIJQXNWSP-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2431010



BindingDB 50441208
PubChem 72711296

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