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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL49163
CHEMBL49163
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C32H39N3O8

Additional synonyms for CHEMBL49163 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)C2(CC(CCN3C(=O)c4ccc(OC)cc4 ...
Download SMILES
Standard InChI InChI=1S/C32H39N3O8/c1-33-27(36)26(17-20-7-9-22(42-2)10-8-20 ...
Download InChI
Standard InChI Key YZEPUSAWUGGWQU-UQTORGHUSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL49163

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
593.7 593.2737 3.2 13 151.34 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 3 1 11 3 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.59 - 3.52 .72 2 43 0.3

Structural Alerts

There are 3 structural alerts for CHEMBL49163. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YZEPUSAWUGGWQU-UQTORGHUSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL49163



BindingDB 50287507
PubChem 44293116

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