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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2324213
CHEMBL2324213
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C32H38N8O6

Additional synonyms for CHEMBL2324213 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)[C@@H](O)C(=O)NO ...
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Standard InChI InChI=1S/C32H38N8O6/c33-28(42)26(16-21-17-37-24-9-4-3-8-22(2 ...
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Standard InChI Key GKJYUVFJPIJHOK-GYUKIKGESA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2324213

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
630.7 630.2914 0.31 15 248.54 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 10 2 14 12 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.39 13.34 2.25 .24 4 46 0.03

Structural Alerts

There are 12 structural alerts for CHEMBL2324213. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GKJYUVFJPIJHOK-GYUKIKGESA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2324213



BindingDB 50427709
PubChem 71601479
PubChem: Thomson Pharma 163682486
ZINC ZINC000095583477

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