AFP-07   

GtoPdb Ligand ID: 1962

Synonyms: AFP 07 | AFP07
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 10
Topological polar surface area 86.99
Molecular weight 388.21
XLogP 3.3
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CCCCCC(C=CC1C(O)CC2C1C(F)(F)C(=CCCCC(=O)O)O2)O
Isomeric SMILES CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@H]2[C@@H]1C(F)(F)/C(=C/CCCC(=O)O)/O2)O
InChI InChI=1S/C20H30F2O5/c1-2-3-4-7-13(23)10-11-14-15(24)12-16-19(14)20(21,22)17(27-16)8-5-6-9-18(25)26/h8,10-11,13-16,19,23-24H,2-7,9,12H2,1H3,(H,25,26)/b11-10+,17-8-/t13-,14-,15+,16-,19+/m0/s1
InChI Key ILUYAOVLMOPQAI-BFOOZVJSSA-N
Classification
Compound class Synthetic organic
IUPAC Name
(5Z)-5-[(3aR,4R,5R,6aS)-3,3-difluoro-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]furan-2-ylidene]pentanoic acid
Synonyms
AFP 07 | AFP07
Database Links
GtoPdb PubChem SID 135649901
PubChem CID 5311226
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