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Ligand Download |
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| Ligand Name: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | ||
| HET ID: PCW | PubChem: 448653 | |
| DrugBank: DB03690 | ChEMBL: CHEMBL1235187 | |
| Canonical SMILES: CCCCCCCC/C=CCCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCC/C=CCCCCCCCC)CO[P@](=O)(OCC[N+](C)(C)C)O | ||
| Standard InChI: InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,42H,6-19,24-41H2,1-5H3/p+1/b22-20-,23-21-/t42-/m1/s1 | ||
| Molecular Formula: C44H85NO8P+ | Mol. Weight: 787.12134 | Heavy Atoms: 54 |
| Charge: 1 | Is Chiral: True | logP: 12.3562 |
| HBD: 1 | HBA: 8 | TPSA: 118.17 |
| #Bonds: 54 | #Rotatable Bonds: 42 | Shape Complexity: 0.8636364 |
| Stereocomplexity: 0.045454547 | ||