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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL119622
CHEMBL119622
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C28H37N3O5

Additional synonyms for CHEMBL119622 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCc2ccccc2
Standard InChI InChI=1S/C28H37N3O5/c1-4-23(25(32)27(34)29-17-11-16-21-12-7- ...
Download InChI
Standard InChI Key SFXFJMNNVMLAHN-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL119622

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
495.6 495.2733 3.54 14 113.6 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 0 8 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.1 - 5.92 5.92 2 36 0.27

Structural Alerts

There are 11 structural alerts for CHEMBL119622. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SFXFJMNNVMLAHN-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL119622



BindingDB 50042414
PubChem 44343594

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