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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3251676
CHEMBL3251676
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H24N2O4

Additional synonyms for CHEMBL3251676 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)C[C@@H](NC(=O)[C@H](O)[C@@H](N)Cc1ccccc1)C(=O)O
Standard InChI InChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12( ...
Download InChI
Standard InChI Key VGGGPCQERPFHOB-BFHYXJOUSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3251676

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
308.4 308.1736 0.53 8 112.65 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 4 0 6 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.28 6.87 .99 -1.71 1 22 0.56

Structural Alerts

There are 1 structural alerts for CHEMBL3251676. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VGGGPCQERPFHOB-BFHYXJOUSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3251676



BindingDB 50010208
PubChem 25202115
ZINC ZINC000011592555

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