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| Ligand Name: dibutyrylphosphatidylcholine |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB904 |
PubChem:
193376
|
Synonym(s):
- c4pc
- schembl5959606
- zinc12834353
- o-(1-o,2-o-dibutanoyl-l-glycero-3-phospho)choline
show 3 synonym(s)
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: CCCC(=O)OC[C@H](COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCC |
| Standard InChI: InChI=1S/C16H32NO8P/c1-6-8-15(18)22-12-14(25-16(19)9-7-2)13-24-26(20,21)23-11-10-17(3,4)5/h14H,6-13H2,1-5H3/p+1/t14-/m1/s1 |
| Molecular Formula: C16H33NO8P+ |
Mol. Weight: 398.19382 |
logP: 1.8814 |
| HBD: 1 | HBA: 7 |
| #Rotatable Bonds: 14 | TPSA: 108.36 |