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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL316645
CHEMBL316645
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C27H33N3O7

Additional synonyms for CHEMBL316645 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc2ccccc2)C(=O)C(=O ...
Download SMILES
Standard InChI InChI=1S/C27H33N3O7/c1-17(2)14-22(30-27(36)37-16-20-12-8-5-9 ...
Download InChI
Standard InChI Key UFUPFFNOYSIKIT-BWAGFHJFSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL316645

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
511.6 511.2319 2.21 13 150.9 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 4 1 10 4 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.19 - 4.01 .35 2 37 0.3

Structural Alerts

There are 10 structural alerts for CHEMBL316645. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UFUPFFNOYSIKIT-BWAGFHJFSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL316645



BindingDB 50040005
PubChem 44330981
ZINC ZINC000026742905

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