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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL157648
CHEMBL157648
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C28H34N2O6

Additional synonyms for CHEMBL157648 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1C[C@H](COC(=O)C2CCCCCC2)C=C3[C@H]1Cc4c[nH]c5cccc3c45.OC(= ...
Download SMILES
Standard InChI InChI=1S/C24H30N2O2.C4H4O4/c1-26-14-16(15-28-24(27)17-7-4-2- ...
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Standard InChI Key FOGVCSBCYKSPAS-QLVLDIANSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL157648

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
378.5 378.2307 4.55 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 5.79 4.83 2 28 0.63

Structural Alerts

There are 2 structural alerts for CHEMBL157648. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FOGVCSBCYKSPAS-QLVLDIANSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL157648



PubChem 44373623

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