[3H](+)-fluprostenol   Click here for help

GtoPdb Ligand ID: 3417

Synonyms: [3H]-(+)-fluprostenol
 Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
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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 107.22
Molecular weight 458.19
XLogP 3.37
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)CCCC=CCC1C(O)CC(C1C=CC(COc1cccc(c1)C(F)(F)F)O)O
Isomeric SMILES OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](COc1cccc(c1)C(F)(F)F)O)O
InChI InChI=1S/C23H29F3O6/c24-23(25,26)15-6-5-7-17(12-15)32-14-16(27)10-11-19-18(20(28)13-21(19)29)8-3-1-2-4-9-22(30)31/h1,3,5-7,10-12,16,18-21,27-29H,2,4,8-9,13-14H2,(H,30,31)/b3-1-,11-10+/t16-,18-,19-,20+,21-/m1/s1
InChI Key WWSWYXNVCBLWNZ-QIZQQNKQSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-en-1-yl]cyclopentyl]hept-5-enoic acid
Synonyms Click here for help
[3H]-(+)-fluprostenol
Database Links Click here for help
Specialist databases
GPCRdb Ligand [3H](+)-fluprostenol
Other databases
ChEMBL Ligand CHEMBL1201379
GtoPdb PubChem SID 178100423
PubChem CID 5311100
Search Google for chemical match using the InChIKey WWSWYXNVCBLWNZ-QIZQQNKQSA-N
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UniChem Compound Search for chemical match using the InChIKey WWSWYXNVCBLWNZ-QIZQQNKQSA-N
UniChem Connectivity Search for chemical match using the InChIKey WWSWYXNVCBLWNZ-QIZQQNKQSA-N

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Tocris
(+)-Fluprostenol (links to external site)
Cat. No. 4542