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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL324692
CHEMBL324692
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C44H67N9O8

Additional synonyms for CHEMBL324692 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOC(=O)C1CCN(CC1)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCC(=O)N[C@@H ...
Download SMILES
Standard InChI InChI=1S/C44H67N9O8/c1-5-28(3)39(42(58)48-27-33-26-47-29(4)4 ...
Download InChI
Standard InChI Key OJSJJFYMVWKMPG-KUCMJJRQSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL324692

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
850.1 849.5113 2.82 21 247.07 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
11 7 3 17 8 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.52 5.71 2.51 2.5 2 61 0.09

Structural Alerts

There are 5 structural alerts for CHEMBL324692. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OJSJJFYMVWKMPG-KUCMJJRQSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL324692



BindingDB 50010416
Nikkaji J449.552G
PubChem 15109764
ZINC ZINC000095610793

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