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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL158155
CHEMBL158155
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C27H32N2O6

Additional synonyms for CHEMBL158155 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)n1cc2C[C@H]3N(C)C[C@H](COC(=O)C4CC4)C=C3c5cccc1c25.OC(= ...
Download SMILES
Standard InChI InChI=1S/C23H28N2O2.C4H4O4/c1-14(2)25-12-17-10-21-19(18-5-4- ...
Download InChI
Standard InChI Key CHXFAGVQPLOAGM-PGZVNSLNSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL158155

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
364.5 364.2151 4.05 4 34.47 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.8 3.36 2.82 2 27 0.77

Structural Alerts

There are 2 structural alerts for CHEMBL158155. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CHXFAGVQPLOAGM-PGZVNSLNSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL158155



PubChem 44373717

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