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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL101791
CHEMBL101791
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C27H44N4O5

Additional synonyms for CHEMBL101791 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C ...
Download SMILES
Standard InChI InChI=1S/C27H44N4O5/c1-8-13-20(23(32)28-9-2)29-24(33)21(16-1 ...
Download InChI
Standard InChI Key TZAPOJSPYZNJDT-FKBYEOEOSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL101791

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
504.7 504.3312 3.07 13 125.63 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 4 1 9 4 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.3 - 5.36 5.36 1 36 0.33

Structural Alerts

There are 4 structural alerts for CHEMBL101791. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:TZAPOJSPYZNJDT-FKBYEOEOSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL101791



BindingDB 50040009
PubChem 44330865
ZINC ZINC000026747507

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