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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL426780
CHEMBL426780
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C29H29F3N4O3

Additional synonyms for CHEMBL426780 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)N(C)Cc4ccccn ...
Download SMILES
Standard InChI InChI=1S/C29H29F3N4O3/c1-18(34(3)16-20-9-5-6-14-33-20)15-36- ...
Download InChI
Standard InChI Key GNHTXKCFQXOQTQ-SFHVURJKSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL426780

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
538.6 538.2192 4.38 9 69.36 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 0 1 7 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 6.88 5.09 4.93 4 39 0.32

Structural Alerts

There are no structural alerts for CHEMBL426780

Compound Cross References

ChemSpider ChemSpider:GNHTXKCFQXOQTQ-SFHVURJKSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL426780



BindingDB 50162026
PubChem 44388510
ZINC ZINC000028120212

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