ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL348936
CHEMBL348936
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C29H36N2O6

Additional synonyms for CHEMBL348936 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)n1cc2C[C@@H]3[C@H](C=C(COC(=O)C4CCCC4)CN3C)c5cccc1c25.O ...
Download SMILES
Standard InChI InChI=1S/C25H32N2O2.C4H4O4/c1-16(2)27-14-19-12-23-21(20-9-6- ...
Download InChI
Standard InChI Key CBGGUEAFVKNVBX-FPGJQPJVSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL348936

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
392.5 392.2464 4.84 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
- 7.27 4.22 3.98 2 29 0.55

Structural Alerts

There are 3 structural alerts for CHEMBL348936. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CBGGUEAFVKNVBX-FPGJQPJVSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL348936



PubChem 44373661

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