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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL179269
CHEMBL179269
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C28H27F2N3O3

Additional synonyms for CHEMBL179269 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN[C@@H](CN1C(=O)N(Cc2c(F)cccc2F)C(=C(C1=O)c3cccc(OC)c3)C)c4 ...
Download SMILES
Standard InChI InChI=1S/C28H27F2N3O3/c1-18-26(20-11-7-12-21(15-20)36-3)27(3 ...
Download InChI
Standard InChI Key NUNVFFCNHYEXAC-VWLOTQADSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL179269

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
491.5 491.202 4.28 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
- 8.51 4.7 3.56 4 36 0.4

Structural Alerts

There are no structural alerts for CHEMBL179269

Compound Cross References

ChemSpider ChemSpider:NUNVFFCNHYEXAC-VWLOTQADSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL179269



BindingDB 50162004
PubChem 11294792
PubChem: Thomson Pharma 16382463
ZINC ZINC000013609644

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