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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL160946
CHEMBL160946
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H26N2O6

Additional synonyms for CHEMBL160946 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1C[C@H](COC(=O)C2CC2)C=C3[C@H]1Cc4c[nH]c5cccc3c45.OC(=O)\C ...
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Standard InChI InChI=1S/C20H22N2O2.C4H4O4/c1-22-10-12(11-24-20(23)13-5-6-13 ...
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Standard InChI Key HURSGIGWHMKRDT-QUQKATCLSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL160946

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
322.4 322.1681 2.99 3 45.33 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.04 3.68 2.72 2 24 0.88

Structural Alerts

There are 2 structural alerts for CHEMBL160946. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HURSGIGWHMKRDT-QUQKATCLSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL160946



PubChem 44373481

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