2-{[(4-fluoro-1-{[4-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl)oxy]methyl}-1H-1,3-benzodiazole
AlkaPlorer ID: AK104471
Synonym: None
IUPAC Name: 2-[[(3S,4R)-4-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]oxymethyl]-1H-benzimidazole
Structure
SMILES: F[C@@H]1CN(CC2=CC=C(C(F)(F)F)C=C2)C[C@@H]1OCC1=NC2=CC=CC=C2N1
InChI: InChI=1S/C20H19F4N3O/c21-15-10-27(9-13-5-7-14(8-6-13)20(22,23)24)11-18(15)28-12-19-25-16-3-1-2-4-17(16)26-19/h1-8,15,18H,9-12H2,(H,25,26)/t15-,18+/m1/s1
InChIKey: OJPBNURMHYOEIF-QAPCUYQASA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
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Properties Information
Molecule Weight: 393.38400000000007
TPSA？: 41.15
MolLogP？: 4.320800000000003
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Plasmodium falciparum | Plasmodium falciparum | Inhibition | 3.0 | % | 10.6019/CHEMBL4888484 |
| Plasmodium falciparum | Plasmodium falciparum | Z score | -0.41 | None | 10.6019/CHEMBL4888484 |