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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2324208
CHEMBL2324208
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C21H28N6O4

Additional synonyms for CHEMBL2324208 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H](CC(=O)NO)Cc1ccc2ccccc2c1)C(=O)N
Standard InChI InChI=1S/C21H28N6O4/c22-19(29)17(6-3-9-25-21(23)24)26-20(30) ...
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Standard InChI Key ISWGHAHDEZLEFR-SJORKVTESA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2324208

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
428.5 428.2172 0.13 11 183.42 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 7 1 10 9 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.12 13.34 .66 -1.34 2 31 0.09

Structural Alerts

There are 11 structural alerts for CHEMBL2324208. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ISWGHAHDEZLEFR-SJORKVTESA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2324208



BindingDB 50427714
PubChem 71601335
PubChem: Thomson Pharma 163682331
ZINC ZINC000095582728

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