ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1783060
CHEMBL1783060
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C27H31F2NO5

Additional synonyms for CHEMBL1783060 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCc1cc(ccc1OCCCOc2cccc(c2)[C@@H]3OC(=O)NC3=O)C4CCC(F)(F)CC4
Standard InChI InChI=1S/C27H31F2NO5/c1-2-5-20-16-19(18-10-12-27(28,29)13-11 ...
Download InChI
Standard InChI Key NSYZQVZYLLYVJH-DEOSSOPVSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1783060

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
487.5 487.217 6.09 10 73.86 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 1 6 1 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
5.47 - 6.23 4.56 2 35 0.41

Structural Alerts

There are 1 structural alerts for CHEMBL1783060. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NSYZQVZYLLYVJH-DEOSSOPVSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1783060



PubChem 54580274
ZINC ZINC000003971996

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