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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL160821
CHEMBL160821
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C29H36N2O6

Additional synonyms for CHEMBL160821 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)C4CCCC4)C=C3c5cccc1c25.OC ...
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 CPJFBHABDWMHPJ-OXNXFYCISA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL160821

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 4.83 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
- 7.79 4.42 3.88 2 29 0.7

Structural Alerts

There are 2 structural alerts for CHEMBL160821. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CPJFBHABDWMHPJ-OXNXFYCISA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL160821



PubChem 44373470

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