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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2114149
CHEMBL2114149
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H22N2O4

Additional synonyms for CHEMBL2114149 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN(CC)C(=O)c1cc(oc1C)[C@H]2NC[C@@H](O)[C@H]2O
Standard InChI InChI=1S/C14H22N2O4/c1-4-16(5-2)14(19)9-6-11(20-8(9)3)12-13( ...
Download InChI
Standard InChI Key JMGMYORMUHCVGM-RAIGVLPGSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2114149

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
282.3 282.158 0.44 4 85.94 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 0 6 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.96 8.09 .51 -.19 1 20 0.75

Structural Alerts

There are no structural alerts for CHEMBL2114149

Compound Cross References

ChemSpider ChemSpider:JMGMYORMUHCVGM-RAIGVLPGSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2114149



BindingDB 50403937
Nikkaji J1.797.189A
PubChem 513283
PubChem: Thomson Pharma 16048397
ZINC ZINC000013817049

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