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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2324219
CHEMBL2324219
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C38H46N8O8

Additional synonyms for CHEMBL2324219 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N ...
Download SMILES
Standard InChI InChI=1S/C38H46N8O8/c1-22(47)43-31(14-15-34(49)50)36(52)45-3 ...
Download InChI
Standard InChI Key XVPKZNPMQMJTQL-NYKRYVCLSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2324219

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
742.8 742.3439 1.79 20 268.69 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 10 2 16 11 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.45 13.5 1.87 -.64 4 54 0.02

Structural Alerts

There are 13 structural alerts for CHEMBL2324219. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XVPKZNPMQMJTQL-NYKRYVCLSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2324219



BindingDB 50427715
PubChem 71719891
ZINC ZINC000095581965

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