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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL96485
CHEMBL96485
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H23FN2

Additional synonyms for CHEMBL96485 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccc2NC3C(Cc4cccc5ccccc45)NCCC3c2c1F
Standard InChI InChI=1S/C23H23FN2/c1-14-9-10-19-21(22(14)24)18-11-12-25-20( ...
Download InChI
Standard InChI Key WHVXCZHAEQZAPK-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL96485

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
346.4 346.1845 4.79 2 24.06 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.59 5.81 4.18 3 26 0.7

Structural Alerts

There are no structural alerts for CHEMBL96485

Compound Cross References

ChemSpider ChemSpider:WHVXCZHAEQZAPK-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL96485



BindingDB 50407854
PubChem 44326468

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