1-(4-{3-fluoro-4-[(6-methoxy-1H-1,3-benzodiazol-2-yl)methoxy]pyrrolidin-1-yl}piperidin-1-yl)ethan-1-one
AlkaPlorer ID: AK096027
Synonym: None
IUPAC Name: 1-[4-[(3R,4S)-3-fluoro-4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]pyrrolidin-1-yl]piperidin-1-yl]ethanone
Structure
SMILES: COC1=CC=C2N=C(CO[C@H]3CN(C4CCN(C(C)=O)CC4)C[C@H]3F)NC2=C1
InChI: InChI=1S/C20H27FN4O3/c1-13(26)24-7-5-14(6-8-24)25-10-16(21)19(11-25)28-12-20-22-17-4-3-15(27-2)9-18(17)23-20/h3-4,9,14,16,19H,5-8,10-12H2,1-2H3,(H,22,23)/t16-,19+/m1/s1
InChIKey: TUVPYMCJCVCFHQ-APWZRJJASA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 390.4590000000002
TPSA？: 70.69
MolLogP？: 2.1213
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|