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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2324214
CHEMBL2324214
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C21H28N6O5

Additional synonyms for CHEMBL2324214 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/C21H28N6O5/c22-18(29)16(6-3-9-25-21(23)24)26-19(30) ...
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Standard InChI Key NJAHRDUAPNLICL-IXDOHACOSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2324214

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
444.5 444.2121 -0.9 11 203.65 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 13.34 .38 -1.62 2 32 0.07

Structural Alerts

There are 11 structural alerts for CHEMBL2324214. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NJAHRDUAPNLICL-IXDOHACOSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2324214



BindingDB 50427708
PubChem 71601481
PubChem: Thomson Pharma 163682488
ZINC ZINC000095582077

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