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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1682437
CHEMBL1682437
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C20H20F2N2O

Additional synonyms for CHEMBL1682437 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H]1[C@@H](O)C(C)(C)Nc2c(F)c(F)c(cc12)c3cccc4cc[nH]c34
Standard InChI InChI=1S/C20H20F2N2O/c1-10-13-9-14(12-6-4-5-11-7-8-23-17(11) ...
Download InChI
Standard InChI Key FXAJZMRVNZSWPK-APBUJDDRSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1682437

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
342.4 342.1544 4.78 1 48.05 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 3 0 3 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 2.52 4.91 4.91 3 25 0.6

Structural Alerts

There are no structural alerts for CHEMBL1682437

Compound Cross References

ChemSpider ChemSpider:FXAJZMRVNZSWPK-APBUJDDRSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1682437



BindingDB 50338305
PubChem 53317030
ZINC ZINC000066098334

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