3BG
1-(4-{4-[(1H-benzimidazol-2-ylmethyl)amino]-6-(4,5-dimethoxy-2-methylphenoxy)pyrimidin-2-yl}piperazin-1-yl)ethanone
Find entries where: 3BG
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | 1-(4-{4-[(1H-benzimidazol-2-ylmethyl)amino]-6-(4,5-dimethoxy-2-methylphenoxy)pyrimidin-2-yl}piperazin-1-yl)ethanone |
| Identifiers | 1-[4-[4-(1H-benzimidazol-2-ylmethylamino)-6-(4,5-dimethoxy-2-methyl-phenoxy)pyrimidin-2-yl]piperazin-1-yl]ethanone |
| Formula | C27 H31 N7 O4 |
| Molecular Weight | 517.58 |
| Type | NON-POLYMER |
| Isomeric SMILES | Cc1cc(c(cc1Oc2cc(nc(n2)N3CCN(CC3)C(=O)C)NCc4[nH]c5ccccc5n4)OC)OC |
| InChI | InChI=1S/C27H31N7O4/c1-17-13-22(36-3)23(37-4)14-21(17)38-26-15-24(28-16-25-29-19-7-5-6-8-20(19)30-25)31-27(32-26)34-11-9-33(10-12-34)18(2)35/h5-8,13-15H,9-12,16H2,1-4H3,(H,29,30)(H,28,31,32) |
| InChIKey | QDJWEGQUTGIBNS-UHFFFAOYSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 69 |
| Chiral Atom Count | 0 |
| Bond Count | 73 |
| Aromatic Bond Count | 22 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 91824251 |
