ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL72555
CHEMBL72555
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H41N3O7

Additional synonyms for CHEMBL72555 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCC(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C ...
Download SMILES
Standard InChI InChI=1S/C26H41N3O7/c1-6-7-13-19(20(30)14-21(31)32)27-24(33) ...
Download InChI
Standard InChI Key QSTGMGZXIKRTIF-AEDUHMMZSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL72555

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
507.6 507.2945 2.59 15 154.06 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
4.18 - 4.42 1.31 1 36 0.24

Structural Alerts

There are 4 structural alerts for CHEMBL72555. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QSTGMGZXIKRTIF-AEDUHMMZSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL72555



BindingDB 50012626
PubChem 44314128

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