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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2324217
CHEMBL2324217
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C22H30N6O5

Additional synonyms for CHEMBL2324217 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(=N)NCCCC[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)[C@H](O)C(=O)NO ...
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Standard InChI InChI=1S/C22H30N6O5/c23-19(30)17(7-3-4-10-26-22(24)25)27-20( ...
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Standard InChI Key SPPAWRHLLTTWGQ-SQNIBIBYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2324217

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
458.5 458.2278 -0.51 12 203.65 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 8 1 11 10 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.39 13.51 .02 -1.98 2 33 0.07

Structural Alerts

There are 11 structural alerts for CHEMBL2324217. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SPPAWRHLLTTWGQ-SQNIBIBYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2324217



BindingDB 50427705
PubChem 71601194
PubChem: Thomson Pharma 163682180
ZINC ZINC000095585123

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