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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL78608
CHEMBL78608
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H23FN2O

Additional synonyms for CHEMBL78608 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccc(NC(C(=O)CCc2ccncc2)c3ccccc3C)c(F)c1
Standard InChI InChI=1S/C23H23FN2O/c1-16-7-9-21(20(24)15-16)26-23(19-6-4-3- ...
Download InChI
Standard InChI Key YGOJLLDUOTYDMI-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL78608

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
362.5 362.1794 5.19 7 41.99 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 5.72 3.5 3.5 3 27 0.63

Structural Alerts

There are 2 structural alerts for CHEMBL78608. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YGOJLLDUOTYDMI-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL78608



BindingDB 50145745
PubChem 44317800

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