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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2207391
CHEMBL2207391
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C10H16N2O2S

Additional synonyms for CHEMBL2207391 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O[C@H]1CN[C@H](CNCc2cccs2)[C@H]1O
Standard InChI InChI=1S/C10H16N2O2S/c13-9-6-12-8(10(9)14)5-11-4-7-2-1-3-15- ...
Download InChI
Standard InChI Key OKMVGPCMRNTUSN-KXUCPTDWSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2207391

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
228.3 228.0932 -0.46 4 92.76 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.15 .54 -1.39 1 15 0.56

Structural Alerts

There are no structural alerts for CHEMBL2207391

Compound Cross References

ChemSpider ChemSpider:OKMVGPCMRNTUSN-KXUCPTDWSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2207391



BindingDB 50402983
Brenda 22463
Nikkaji J1.582.998B
PubChem 10988011
PubChem: Thomson Pharma 16046473
ZINC ZINC000022930389

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