ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1762207
CHEMBL1762207
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H27F2N3O3

Additional synonyms for CHEMBL1762207 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COC(=O)C(C)(C)O\N=C\1/CC(C)(C)Nc2cc(F)c(c(F)c12)c3cccc4c(C)c ...
Download SMILES
Standard InChI InChI=1S/C25H27F2N3O3/c1-13-12-28-22-14(13)8-7-9-15(22)19-16 ...
Download InChI
Standard InChI Key NFYJVUPADUMVIG-UXHLAJHPSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1762207

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
455.5 455.202 5.69 4 75.71 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 1 6 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 2.12 5.27 5.27 3 33 0.39

Structural Alerts

There are 8 structural alerts for CHEMBL1762207. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NFYJVUPADUMVIG-UXHLAJHPSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1762207



BindingDB 50340668
SureChEMBL SCHEMBL4188377
ZINC ZINC000071319264

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