T0E
5-[(3S,4R)-3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}piperidin-4-yl]-2-fluoro-N-[(1H-pyrazol-5-yl)methyl]benzamide
Find entries where: T0E
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-[(1H-pyrazol-5-yl)methyl]benzamide |
| Identifiers | 5-[(3~{S},4~{R})-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluoranyl-~{N}-(1~{H}-pyrazol-5-ylmethyl)benzamide |
| Formula | C24 H25 F N4 O4 |
| Molecular Weight | 452.478 |
| Type | NON-POLYMER |
| Isomeric SMILES | c1cc(c(cc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4)C(=O)NCc5ccn[nH]5)F |
| InChI | InChI=1S/C24H25FN4O4/c25-21-3-1-15(9-20(21)24(30)27-12-17-5-8-28-29-17)19-6-7-26-11-16(19)13-31-18-2-4-22-23(10-18)33-14-32-22/h1-5,8-10,16,19,26H,6-7,11-14H2,(H,27,30)(H,28,29)/t16-,19-/m0/s1 |
| InChIKey | XQUKEAYUAYTIBV-LPHOPBHVSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 58 |
| Chiral Atom Count | 2 |
| Bond Count | 62 |
| Aromatic Bond Count | 17 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 126476626 |
| ChEMBL | CHEMBL4090144 |
