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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL273756
CHEMBL273756
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H28N2O4

Additional synonyms for CHEMBL273756 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)n1cc2C[C@@H]3[C@H](C=C(C)CN3C)c4cccc1c24.OC(=O)\C=C/C(= ...
Download SMILES
Standard InChI InChI=1S/C19H24N2.C4H4O4/c1-12(2)21-11-14-9-18-16(8-13(3)10- ...
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Standard InChI Key SVHUUUJBOFFPAQ-VQAQLOKVSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL273756

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
280.4 280.1939 4.12 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
- 8.03 3.88 3.16 2 21 0.71

Structural Alerts

There are 1 structural alerts for CHEMBL273756. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SVHUUUJBOFFPAQ-VQAQLOKVSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL273756



PubChem 44373813

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