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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2442773
CHEMBL2442773
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H18F2N2O4

Additional synonyms for CHEMBL2442773 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H]1N[C@H](CC(=O)Nc2ccc(F)cc2F)[C@@H](O)[C@H](O)[C@@H]1O
Standard InChI InChI=1S/C14H18F2N2O4/c1-6-12(20)14(22)13(21)10(17-6)5-11(19 ...
Download InChI
Standard InChI Key RUHMDDXJMOMYPP-JCNRUKLBSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2442773

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
316.3 316.1235 -0.26 3 101.82 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 5 0 6 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.86 7.68 .65 .32 1 22 0.53

Structural Alerts

There are no structural alerts for CHEMBL2442773

Compound Cross References

ChemSpider ChemSpider:RUHMDDXJMOMYPP-JCNRUKLBSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2442773



BindingDB 50442338
PubChem 72206243
ZINC ZINC000096286015

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