colfosceril palmitate   

GtoPdb Ligand ID: 2799

Synonyms: DPPC | Exosurf Neonatal®
colfosceril palmitate is an approved drug
Comment: Colfosceril palmitate is a pulmonary surfactant.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 40
Topological polar surface area 118.17
Molecular weight 734.57
XLogP 13.85
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
Canonical SMILES CCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)(OCC[N+](C)(C)C)O
Isomeric SMILES CCCCCCCCCCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCCCCCCCCCC)COP(=O)(OCC[N+](C)(C)C)O
InChI InChI=1S/C40H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h38H,6-37H2,1-5H3/p+1/t38-/m1/s1
InChI Key KILNVBDSWZSGLL-KXQOOQHDSA-O
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InChI standard key Download

Molecular structure representations generated using Open Babel