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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL179600
CHEMBL179600
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H28F3N3O3

Additional synonyms for CHEMBL179600 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cccc(C2=C(C)N(Cc3c(F)cccc3F)C(=O)N(C[C@H](C)NC4CCC4)C2=O ...
Download SMILES
Standard InChI InChI=1S/C26H28F3N3O3/c1-15(30-17-7-4-8-17)13-32-25(33)23(18 ...
Download InChI
Standard InChI Key BYDVDJCXCAYWGJ-HNNXBMFYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL179600

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
487.5 487.2083 3.99 8 65.26 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 0 6 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.25 5.25 2.59 3 35 0.52

Structural Alerts

There are no structural alerts for CHEMBL179600

Compound Cross References

ChemSpider ChemSpider:BYDVDJCXCAYWGJ-HNNXBMFYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL179600



BindingDB 50162024
PubChem 11191675
PubChem: Thomson Pharma 16345775
ZINC ZINC000013559591

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