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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL178281
CHEMBL178281
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C28H25F2N3O4

Additional synonyms for CHEMBL178281 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)c3ccc4OCOc4c3)C)c ...
Download SMILES
Standard InChI InChI=1S/C28H25F2N3O4/c1-17-26(19-11-12-24-25(13-19)37-16-36 ...
Download InChI
Standard InChI Key WNHRUAZGRQBOOI-QHCPKHFHSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL178281

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
505.5 505.1813 4 7 74.49 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.51 5.6 4.46 4 37 0.41

Structural Alerts

There are no structural alerts for CHEMBL178281

Compound Cross References

ChemSpider ChemSpider:WNHRUAZGRQBOOI-QHCPKHFHSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL178281



BindingDB 50162022
PubChem 11156980
PubChem: Thomson Pharma 16370453
ZINC ZINC000013609647

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