colfosceril palmitate

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Ligands
colfosceril palmitate

GtoPdb Ligand ID: 2799

Synonyms: DPPC | Exosurf Neonatal®

colfosceril palmitate is an approved drug

Compound class: Metabolite

Comment: Colfosceril palmitate is a pulmonary surfactant.

2D Structure

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

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)

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

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)