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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL72563
CHEMBL72563
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C28H37N3O7

Additional synonyms for CHEMBL72563 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)C)C(=O)NC(C(O)C ...
Download SMILES
Standard InChI InChI=1S/C28H37N3O7/c1-17(2)23(26(35)30-25(21(32)15-22(33)34 ...
Download InChI
Standard InChI Key ZCQYSIOBSMLSDT-LWXYIGGYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL72563

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
527.6 527.2632 2.77 13 154.06 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 5 1 10 5 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.15 - 4.19 1.06 2 38 0.27

Structural Alerts

There are 4 structural alerts for CHEMBL72563. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZCQYSIOBSMLSDT-LWXYIGGYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL72563



BindingDB 50012624
PubChem 44314026

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