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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL320723
CHEMBL320723
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H21N3O4

Additional synonyms for CHEMBL320723 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)C[C@H](CN(O)C=O)C(=O)NC(=O)[C@@H](C)N
Standard InChI InChI=1S/C11H21N3O4/c1-7(2)4-9(5-14(18)6-15)11(17)13-10(16)8 ...
Download InChI
Standard InChI Key UZQQSSXSYSWTCT-RKDXNWHRSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL320723

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
259.3 259.1532 -0.51 7 112.73 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 0 7 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.56 7.54 -1.17 -1.66 0 18 0.32

Structural Alerts

There are 11 structural alerts for CHEMBL320723. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UZQQSSXSYSWTCT-RKDXNWHRSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL320723



BindingDB 50132514
PubChem 44337236
ZINC ZINC000026935585

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