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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL158938
CHEMBL158938
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H30N2O4

Additional synonyms for CHEMBL158938 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)n1cc2C[C@@H]3[C@H](C[C@@H](C)CN3C)c4cccc1c24.OC(=O)\C=C ...
Download SMILES
Standard InChI InChI=1S/C19H26N2.C4H4O4/c1-12(2)21-11-14-9-18-16(8-13(3)10- ...
Download InChI
Standard InChI Key IKNQHPBAVSGEJY-ZAJAPVNPSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL158938

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
282.4 282.2096 4.2 1 8.17 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 0 0 2 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.37 3.88 2.87 2 21 0.76

Structural Alerts

There are no structural alerts for CHEMBL158938

Compound Cross References

ChemSpider ChemSpider:IKNQHPBAVSGEJY-ZAJAPVNPSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL158938



PubChem 44373570

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