5QL
~{N}-[(2~{S})-3-(3,4-dihydro-1~{H}-isoquinolin-2-yl)-2-oxidanyl-propyl]-3-(oxan-4-ylamino)benzamide
Find entries where: 5QL
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | ~{N}-[(2~{S})-3-(3,4-dihydro-1~{H}-isoquinolin-2-yl)-2-oxidanyl-propyl]-3-(oxan-4-ylamino)benzamide |
| Identifiers | ~{N}-[(2~{S})-3-(3,4-dihydro-1~{H}-isoquinolin-2-yl)-2-oxidanyl-propyl]-3-(oxan-4-ylamino)benzamide |
| Formula | C24 H31 N3 O3 |
| Molecular Weight | 409.521 |
| Type | NON-POLYMER |
| Isomeric SMILES | c1ccc2c(c1)CCN(C2)C[C@H](CNC(=O)c3cccc(c3)NC4CCOCC4)O |
| InChI | InChI=1S/C24H31N3O3/c28-23(17-27-11-8-18-4-1-2-5-20(18)16-27)15-25-24(29)19-6-3-7-22(14-19)26-21-9-12-30-13-10-21/h1-7,14,21,23,26,28H,8-13,15-17H2,(H,25,29)/t23-/m0/s1 |
| InChIKey | LAWDUEFJOJENIJ-QHCPKHFHSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 61 |
| Chiral Atom Count | 1 |
| Bond Count | 64 |
| Aromatic Bond Count | 12 |
Related Resource References
| Resource Name | Reference |
|---|---|
| Pharos | CHEMBL3938760 |
| PubChem | 90241843 |
| ChEMBL | CHEMBL3938760 |
