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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL101784
CHEMBL101784
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H33N3O4

Additional synonyms for CHEMBL101784 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2
Standard InChI InChI=1S/C25H33N3O4/c1-4-26-23(29)22(16-19-11-7-5-8-12-19)27 ...
Download InChI
Standard InChI Key PNRWOFORTRJIMC-FCHUYYIVSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL101784

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
439.6 439.2471 3.19 11 96.53 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 3 0 7 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.15 - 5.34 5.34 2 32 0.5

Structural Alerts

There are 4 structural alerts for CHEMBL101784. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PNRWOFORTRJIMC-FCHUYYIVSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL101784



BindingDB 50040006
PubChem 44330832

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