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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1812750
CHEMBL1812750
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H20FNO2

Additional synonyms for CHEMBL1812750 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@H]1c3ccc(C)c(F)c3)N2
Standard InChI InChI=1S/C16H20FNO2/c1-9-3-4-10(7-13(9)17)12-8-11-5-6-14(18- ...
Download InChI
Standard InChI Key QDZIBQWKRRRXAL-VIRABCJISA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1812750

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
277.3 277.1478 2.74 3 38.33 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.89 2.1 -.29 1 20 0.86

Structural Alerts

There are 1 structural alerts for CHEMBL1812750. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QDZIBQWKRRRXAL-VIRABCJISA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1812750



BindingDB 50349794
PubChem 11278436
ZINC ZINC000013644778

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