ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL328595
CHEMBL328595
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H21FN2

Additional synonyms for CHEMBL328595 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN(C)CCc1c([nH]c2ccccc12)c3cccc(F)c3
Standard InChI InChI=1S/C19H21FN2/c1-3-22(2)12-11-17-16-9-4-5-10-18(16)21-1 ...
Download InChI
Standard InChI Key VCCRNQWQVWFKOO-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL328595

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
296.4 296.1689 4.47 5 19.03 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.47 4.35 2.29 3 22 0.74

Structural Alerts

There are no structural alerts for CHEMBL328595

Compound Cross References

ChemSpider ChemSpider:VCCRNQWQVWFKOO-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL328595



BindingDB 50095041
IBM Patent System 6D6479EE48B07714B4F0903F56FA17CB
Nikkaji J1.447.227D
PubChem 44324042
ZINC ZINC000026646210

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