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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2442784
CHEMBL2442784
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H24N2O4

Additional synonyms for CHEMBL2442784 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H]1N[C@H](CC(=O)Nc2ccc(C)cc2C)[C@@H](O)[C@H](O)[C@@H]1O
Standard InChI InChI=1S/C16H24N2O4/c1-8-4-5-11(9(2)6-8)18-13(19)7-12-15(21) ...
Download InChI
Standard InChI Key CEGZQQJJZTVXGU-NIHBDADESA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2442784

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 0.08 3 101.82 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.79 7.74 1.11 .74 1 22 0.54

Structural Alerts

There are no structural alerts for CHEMBL2442784

Compound Cross References

ChemSpider ChemSpider:CEGZQQJJZTVXGU-NIHBDADESA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2442784



BindingDB 50442343
PubChem 72206073
ZINC ZINC000096286020

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