X4G
(3R)-1-{[1-(5-fluoro-2-{[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]amino}pyrimidin-4-yl)-4-methyl-1H-pyrrol-3-yl]methyl}pyrrolidin-3-ol
Find entries where: X4G
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | (3R)-1-{[1-(5-fluoro-2-{[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]amino}pyrimidin-4-yl)-4-methyl-1H-pyrrol-3-yl]methyl}pyrrolidin-3-ol |
| Identifiers | (3R)-1-[[1-[5-fluoranyl-2-[[4-(2-hydroxyethyloxy)-3,5-dimethyl-phenyl]amino]pyrimidin-4-yl]-4-methyl-pyrrol-3-yl]methyl]pyrrolidin-3-ol |
| Formula | C24 H30 F N5 O3 |
| Molecular Weight | 455.525 |
| Type | NON-POLYMER |
| Isomeric SMILES | Cc1cc(cc(c1OCCO)C)Nc2ncc(c(n2)n3cc(c(c3)CN4CC[C@H](C4)O)C)F |
| InChI | InChI=1S/C24H30FN5O3/c1-15-8-19(9-16(2)22(15)33-7-6-31)27-24-26-10-21(25)23(28-24)30-11-17(3)18(13-30)12-29-5-4-20(32)14-29/h8-11,13,20,31-32H,4-7,12,14H2,1-3H3,(H,26,27,28)/t20-/m1/s1 |
| InChIKey | OSONANZITXBMIW-HXUWFJFHSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 63 |
| Chiral Atom Count | 1 |
| Bond Count | 66 |
| Aromatic Bond Count | 17 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 53233425 |
