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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL359894
CHEMBL359894
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C27H25F2N3O3

Additional synonyms for CHEMBL359894 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cccc(c1)C2=C(C)N(Cc3c(F)cccc3F)C(=O)N(C[C@H](N)c4ccccc4) ...
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Standard InChI InChI=1S/C27H25F2N3O3/c1-17-25(19-10-6-11-20(14-19)35-2)26(3 ...
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Standard InChI Key SPHKXPKCNHWKFN-DEOSSOPVSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL359894

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
477.5 477.1864 4.02 7 79.25 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 0 6 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.49 4.32 3.2 4 35 0.44

Structural Alerts

There are no structural alerts for CHEMBL359894

Compound Cross References

ChemSpider ChemSpider:SPHKXPKCNHWKFN-DEOSSOPVSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL359894



BindingDB 50161500
Nikkaji J2.086.410I
PubChem 11282957
PubChem: Thomson Pharma 16369896
ZINC ZINC000013609617

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