PGF   Click here for help

GtoPdb Ligand ID: 1884

Synonyms: prostaglandin F
Immunopharmacology Ligand
Comment: PGF is a naturally-occurring prostanoid which functions as a potent vasoconstrictor. The synthetically produced drug, dinoprost, is chemically identical to the endogenous prostaglandin [3].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 4
Rotatable bonds 12
Topological polar surface area 97.99
Molecular weight 354.24
XLogP 3.2
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES CCCCCC(C=CC1C(O)CC(C1CC=CCCCC(=O)O)O)O
Isomeric SMILES CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O
InChI InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1
InChI Key PXGPLTODNUVGFL-YNNPMVKQSA-N