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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL132773
CHEMBL132773
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H36N4O5

Additional synonyms for CHEMBL132773 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)NCCc2cccn2C
Standard InChI InChI=1S/C26H36N4O5/c1-5-21(23(31)25(33)27-14-13-20-12-9-15- ...
Download InChI
Standard InChI Key PJJKGPCXAZFMMA-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL132773

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
484.6 484.2686 2.49 13 118.53 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 3 0 9 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.1 - 4.46 4.46 2 35 0.38

Structural Alerts

There are 10 structural alerts for CHEMBL132773. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PJJKGPCXAZFMMA-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL132773



BindingDB 50053863
PubChem 44353544

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