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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL179429
CHEMBL179429
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C29H28F3N3O3

Additional synonyms for CHEMBL179429 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](N(C)C)c4ccccc4 ...
Download SMILES
Standard InChI InChI=1S/C29H28F3N3O3/c1-18-26(20-12-8-15-25(38-4)27(20)32)2 ...
Download InChI
Standard InChI Key NAKAWVWXVKWSQY-DEOSSOPVSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL179429

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
523.6 523.2083 4.76 8 56.47 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.83 5.75 5.18 4 38 0.33

Structural Alerts

There are no structural alerts for CHEMBL179429

Compound Cross References

ChemSpider ChemSpider:NAKAWVWXVKWSQY-DEOSSOPVSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL179429



BindingDB 50162013
PubChem 11226753
PubChem: Thomson Pharma 16395491
ZINC ZINC000013609599

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