ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL348875
CHEMBL348875
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C27H32N2O6

Additional synonyms for CHEMBL348875 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1C[C@H](COC(=O)C2CCCCC2)C=C3[C@H]1Cc4c[nH]c5cccc3c45.OC(=O ...
Download SMILES
Standard InChI InChI=1S/C23H28N2O2.C4H4O4/c1-25-13-15(14-27-23(26)16-6-3-2- ...
Download InChI
Standard InChI Key PITGWFXAOQMFES-PGZVNSLNSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL348875

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 4.16 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 5.27 4.3 2 27 0.83

Structural Alerts

There are 2 structural alerts for CHEMBL348875. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PITGWFXAOQMFES-PGZVNSLNSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL348875



ChEBI 365445
PubChem 44373613 49792078

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