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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL322966
CHEMBL322966
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C30H33N3O10

Additional synonyms for CHEMBL322966 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NC(CC(=O)O)C ...
Download SMILES
Standard InChI InChI=1S/C30H33N3O10/c1-17(2)27(33-30(40)42-15-19-7-5-4-6-8- ...
Download InChI
Standard InChI Key MHRDQOSRHFFZBJ-QYXJAZEHSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL322966

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
595.6 595.2166 2.16 14 190.34 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 4 1 13 4 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.98 - 3.85 .52 3 43 0.2

Structural Alerts

There are 12 structural alerts for CHEMBL322966. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MHRDQOSRHFFZBJ-QYXJAZEHSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL322966



BindingDB 50091570
Nikkaji J974.160G
PubChem 44341984

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