Ligand |
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| Ligand Name: 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | ||
| HET ID: CPL | PubChem: 5287971 | |
| DrugBank: DB02306 | ChEMBL: CHEMBL1231901 | |
| Canonical SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCC/C=CC/C=CCCCCC)COP(=O)(OCC[N+](C)(C)C)[O-] | ||
| Standard InChI: InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h14,16,20-21,40H,6-13,15,17-19,22-39H2,1-5H3/b16-14-,21-20-/t40-/m1/s1 | ||
| Molecular Formula: C42H80NO8P | Mol. Weight: 758.06024 | Heavy Atoms: 52 |
| Charge: 0 | Is Chiral: True | logP: 12.0142 |
| HBD: 0 | HBA: 8 | TPSA: 121.0 |
| #Bonds: 52 | #Rotatable Bonds: 40 | Shape Complexity: 0.85714287 |
| Stereocomplexity: 0.04761905 | Ligand Type: Small Molecule | |
Binding Affinity |
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