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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL347450
CHEMBL347450
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H28N2O6

Additional synonyms for CHEMBL347450 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1C[C@H](COC(=O)C2CCC2)C=C3[C@H]1Cc4c[nH]c5cccc3c45.OC(=O)\ ...
Download SMILES
Standard InChI InChI=1S/C21H24N2O2.C4H4O4/c1-23-11-13(12-25-21(24)14-4-2-5- ...
Download InChI
Standard InChI Key QVAWMENYSDOTQR-PNKRBHSKSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL347450

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
336.4 336.1838 3.38 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
- 8.03 4.21 3.25 2 25 0.87

Structural Alerts

There are 2 structural alerts for CHEMBL347450. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QVAWMENYSDOTQR-PNKRBHSKSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL347450



PubChem 44373313

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