4A9
2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-N-(3-{[3-(trifluoromethyl)benzoyl]amino}phenyl)-1,3-thiazole-5-carboxamide
Find entries where: 4A9
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | 2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-N-(3-{[3-(trifluoromethyl)benzoyl]amino}phenyl)-1,3-thiazole-5-carboxamide |
| Identifiers | 2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-pyrimidin-4-yl]amino]-N-[3-[[3-(trifluoromethyl)phenyl]carbonylamino]phenyl]-1,3-thiazole-5-carboxamide |
| Formula | C29 H29 F3 N8 O3 S |
| Molecular Weight | 626.653 |
| Type | NON-POLYMER |
| Isomeric SMILES | Cc1nc(cc(n1)N2CCN(CC2)CCO)Nc3ncc(s3)C(=O)Nc4cccc(c4)NC(=O)c5cccc(c5)C(F)(F)F |
| InChI | InChI=1S/C29H29F3N8O3S/c1-18-34-24(16-25(35-18)40-10-8-39(9-11-40)12-13-41)38-28-33-17-23(44-28)27(43)37-22-7-3-6-21(15-22)36-26(42)19-4-2-5-20(14-19)29(30,31)32/h2-7,14-17,41H,8-13H2,1H3,(H,36,42)(H,37,43)(H,33,34,35,38) |
| InChIKey | GWJVXYZDNRXACJ-UHFFFAOYSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 73 |
| Chiral Atom Count | 0 |
| Bond Count | 77 |
| Aromatic Bond Count | 23 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 118704883 |
