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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2324216
CHEMBL2324216
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C22H30N6O4

Additional synonyms for CHEMBL2324216 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(=N)NCCCC[C@H](NC(=O)[C@H](CC(=O)NO)Cc1ccc2ccccc2c1)C(=O)N
Standard InChI InChI=1S/C22H30N6O4/c23-20(30)18(7-3-4-10-26-22(24)25)27-21( ...
Download InChI
Standard InChI Key QSBNBKADDGUXQE-ROUUACIJSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2324216

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
442.5 442.2329 0.52 12 183.42 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 13.51 .3 -1.71 2 32 0.08

Structural Alerts

There are 11 structural alerts for CHEMBL2324216. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QSBNBKADDGUXQE-ROUUACIJSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2324216



BindingDB 50427706
PubChem 71601627
PubChem: Thomson Pharma 163682645
ZINC ZINC000095582138

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