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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2207394
CHEMBL2207394
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C13H20N2O2

Additional synonyms for CHEMBL2207394 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(NC[C@H]1NC[C@H](O)[C@@H]1O)c2ccccc2
Standard InChI InChI=1S/C13H20N2O2/c1-9(10-5-3-2-4-6-10)14-7-11-13(17)12(16 ...
Download InChI
Standard InChI Key WMPOZDRIYMQHEX-PLKNYFGKSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2207394

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
236.3 236.1525 0.17 4 64.52 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
- 9.23 .95 -1.34 1 17 0.6

Structural Alerts

There are no structural alerts for CHEMBL2207394

Compound Cross References

ChemSpider ChemSpider:WMPOZDRIYMQHEX-PLKNYFGKSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2207394



BindingDB 50402980
Brenda 33675
PubChem 71459737

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