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Ligand Download |
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| Ligand Name: (2S)-2-[4'-({dimethyl[2-(phosphonooxy)ethyl]ammonio}acetyl)biphenyl-4-yl]-2-hydroxy-4,4-dimethylmorpholin-4-ium | ||
| HET ID: HC7 | PubChem: 25113187 | |
| DrugBank: - | ChEMBL: CHEMBL1233251 | |
| Canonical SMILES: O=C(c1ccc(cc1)c1ccc(cc1)[C@]1(O)OCC[N+](C1)(C)C)C[N+](CCOP(=O)(O)O)(C)C | ||
| Standard InChI: InChI=1S/C24H33N2O7P/c1-25(2,14-16-33-34(29,30)31)17-23(27)21-7-5-19(6-8-21)20-9-11-22(12-10-20)24(28)18-26(3,4)13-15-32-24/h5-12,28H,13-18H2,1-4H3/p+2/t24-/m1/s1 | ||
| Molecular Formula: C24H35N2O7P++ | Mol. Weight: 494.51767 | Heavy Atoms: 34 |
| Charge: 2 | Is Chiral: True | logP: 1.9325 |
| HBD: 3 | HBA: 7 | TPSA: 123.1 |
| #Bonds: 36 | #Rotatable Bonds: 9 | Shape Complexity: 0.45833334 |
| Stereocomplexity: 0.041666668 | ||