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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL589552
CHEMBL589552
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H27N3O6

Additional synonyms for CHEMBL589552 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](C)C(=O)N[C@@H]( ...
Download SMILES
Standard InChI InChI=1S/C23H27N3O6/c1-13(2)20(23(32)24-14(3)21(30)25-18(12- ...
Download InChI
Standard InChI Key QSDGPAGGGCSJBM-DCPHZVHLSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL589552

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
441.5 441.19 1.26 10 141.67 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 4 0 9 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.2 - 1.8 -1.45 2 32 0.41

Structural Alerts

There are 8 structural alerts for CHEMBL589552. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QSDGPAGGGCSJBM-DCPHZVHLSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL589552



BindingDB 50308244
PubChem 45379837
PubChem: Thomson Pharma 93371439
ZINC ZINC000045339117

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