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 | |
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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 | |
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Formal Charge | 0 |
Atom Count | 58 |
Chiral Atom Count | 2 |
Bond Count | 62 |
Aromatic Bond Count | 17 |
Related Resource References
Resource Name | Reference |
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PubChem | 126476626 |
ChEMBL | CHEMBL4090144 |