66K
4-[(4-methylpiperazin-1-yl)methyl]-N-(4-methyl-3-{[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]oxy}phenyl)-3-(trifluoromethyl)benzamide
Find entries where: 66K
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | 4-[(4-methylpiperazin-1-yl)methyl]-N-(4-methyl-3-{[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]oxy}phenyl)-3-(trifluoromethyl)benzamide |
| Identifiers | 4-[(4-methylpiperazin-1-yl)methyl]-~{N}-[4-methyl-3-(1-pyridin-3-ylcarbonylpiperidin-4-yl)oxy-phenyl]-3-(trifluoromethyl)benzamide |
| Formula | C32 H36 F3 N5 O3 |
| Molecular Weight | 595.655 |
| Type | NON-POLYMER |
| Isomeric SMILES | Cc1ccc(cc1OC2CCN(CC2)C(=O)c3cccnc3)NC(=O)c4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C |
| InChI | InChI=1S/C32H36F3N5O3/c1-22-5-8-26(19-29(22)43-27-9-12-40(13-10-27)31(42)24-4-3-11-36-20-24)37-30(41)23-6-7-25(28(18-23)32(33,34)35)21-39-16-14-38(2)15-17-39/h3-8,11,18-20,27H,9-10,12-17,21H2,1-2H3,(H,37,41) |
| InChIKey | CBLZTDLZCXMNCE-UHFFFAOYSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 79 |
| Chiral Atom Count | 0 |
| Bond Count | 83 |
| Aromatic Bond Count | 18 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 121232411 |
| ChEMBL | CHEMBL3963223 |
