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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL359682
CHEMBL359682
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C27H32F3N3O3

Additional synonyms for CHEMBL359682 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](CC(C)C)N(C)C)C ...
Download SMILES
Standard InChI InChI=1S/C27H32F3N3O3/c1-16(2)13-18(31(4)5)14-33-26(34)24(19 ...
Download InChI
Standard InChI Key NCCDBRWSMYISFR-SFHVURJKSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL359682

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
503.6 503.2396 4.44 9 56.47 BASE


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
- 8.86 5.97 4.51 3 36 0.43

Structural Alerts

There are no structural alerts for CHEMBL359682

Compound Cross References

ChemSpider ChemSpider:NCCDBRWSMYISFR-SFHVURJKSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL359682



BindingDB 50162037
PubChem 11477615
PubChem: Thomson Pharma 16578403
ZINC ZINC000013609606

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