1OK
(2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-N-(phenylsulfonyl)ethanamide
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is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-N-(phenylsulfonyl)ethanamide |
| Identifiers | (2R)-2-[(1-azanylisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)-N-(phenylsulfonyl)ethanamide |
| Formula | C28 H30 N4 O5 S |
| Molecular Weight | 534.627 |
| Type | NON-POLYMER |
| Isomeric SMILES | CCOc1cc(ccc1OC(C)C)[C@H](C(=O)NS(=O)(=O)c2ccccc2)Nc3ccc4c(c3)ccnc4N |
| InChI | InChI=1S/C28H30N4O5S/c1-4-36-25-17-20(10-13-24(25)37-18(2)3)26(28(33)32-38(34,35)22-8-6-5-7-9-22)31-21-11-12-23-19(16-21)14-15-30-27(23)29/h5-18,26,31H,4H2,1-3H3,(H2,29,30)(H,32,33)/t26-/m1/s1 |
| InChIKey | ICZUITMFGXCICW-AREMUKBSSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 68 |
| Chiral Atom Count | 1 |
| Bond Count | 71 |
| Aromatic Bond Count | 23 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 69295008 |
| ChEMBL | CHEMBL2431595 |
