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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL442123
CHEMBL442123
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C84H95Cl4N10O25+

Additional synonyms for CHEMBL442123 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc ...
Download SMILES
Standard InChI InChI=1S/C84H94Cl4N10O25/c1-36(2)22-52(90-5)76(109)96-67-69( ...
Download InChI
Standard InChI Key OJMFVVBMFMFRSC-FOZLQOBKSA-O

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL442123

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
1786.5 1783.5218 - - - -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
- - - - - -


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - - - - - -0

Structural Alerts

There are no structural alerts for CHEMBL442123

Compound Cross References

ChemSpider ChemSpider:OJMFVVBMFMFRSC-FOZLQOBKSA-O

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL442123



PubChem 44381464

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/OJMFVVBMFMFRSC-FOZLQOBKSA-O spacer
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