SIX
2-{5-[(3S,4R)-3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}piperidin-4-yl]-2-fluorophenyl}-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide
Find entries where: SIX
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | 2-{5-[(3S,4R)-3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}piperidin-4-yl]-2-fluorophenyl}-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide |
| Identifiers | 2-[5-[(3~{S},4~{R})-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluoranyl-phenyl]-~{N}-[2-(1~{H}-pyrazol-4-yl)ethyl]ethanamide |
| Formula | C26 H29 F N4 O4 |
| Molecular Weight | 480.531 |
| Type | NON-POLYMER |
| Isomeric SMILES | c1cc(c(cc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4)CC(=O)NCCc5c[nH]nc5)F |
| InChI | InChI=1S/C26H29FN4O4/c27-23-3-1-18(9-19(23)10-26(32)29-8-5-17-12-30-31-13-17)22-6-7-28-14-20(22)15-33-21-2-4-24-25(11-21)35-16-34-24/h1-4,9,11-13,20,22,28H,5-8,10,14-16H2,(H,29,32)(H,30,31)/t20-,22-/m0/s1 |
| InChIKey | UWGQNVKEQMCXMS-UNMCSNQZSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 64 |
| Chiral Atom Count | 2 |
| Bond Count | 68 |
| Aromatic Bond Count | 17 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 126456405 |
| ChEMBL | CHEMBL4070290 |
