8DJ
5-[(3S,4R)-3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}piperidin-4-yl]-2-fluoro-N-[(pyridin-2-yl)methyl]benzamide
Find entries where: 8DJ
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | 5-[(3S,4R)-3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}piperidin-4-yl]-2-fluoro-N-[(pyridin-2-yl)methyl]benzamide |
| Identifiers | 5-[(3~{S},4~{R})-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluoranyl-~{N}-(pyridin-2-ylmethyl)benzamide |
| Formula | C26 H26 F N3 O4 |
| Molecular Weight | 463.501 |
| Type | NON-POLYMER |
| Isomeric SMILES | c1ccnc(c1)CNC(=O)c2cc(ccc2F)[C@@H]3CCNC[C@H]3COc4ccc5c(c4)OCO5 |
| InChI | InChI=1S/C26H26FN3O4/c27-23-6-4-17(11-22(23)26(31)30-14-19-3-1-2-9-29-19)21-8-10-28-13-18(21)15-32-20-5-7-24-25(12-20)34-16-33-24/h1-7,9,11-12,18,21,28H,8,10,13-16H2,(H,30,31)/t18-,21-/m0/s1 |
| InChIKey | DXYYFJOVZVSYFY-RXVVDRJESA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 60 |
| Chiral Atom Count | 2 |
| Bond Count | 64 |
| Aromatic Bond Count | 18 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 124160646 |
| ChEMBL | CHEMBL4070885 |
