AL-8810   

GtoPdb Ligand ID: 1956

Synonyms: AL 8810 | AL8810
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 9
Topological polar surface area 77.76
Molecular weight 402.22
XLogP 3.83
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OC(=O)CCCC=CCC1C(O)CC(C1C=CC(C1Cc2c(C1)cccc2)O)F
Isomeric SMILES OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H]([C@@H]1/C=C/[C@@H](C1Cc2c(C1)cccc2)O)F
InChI InChI=1S/C24H31FO4/c25-21-15-23(27)20(9-3-1-2-4-10-24(28)29)19(21)11-12-22(26)18-13-16-7-5-6-8-17(16)14-18/h1,3,5-8,11-12,18-23,26-27H,2,4,9-10,13-15H2,(H,28,29)/b3-1-,12-11+/t19-,20-,21+,22+,23+/m1/s1
InChI Key WTYSXBKKVNOOIX-JTGCGUAKSA-N
Classification
Compound class Synthetic organic
IUPAC Name
(Z)-7-[(1R,2R,3S,5S)-2-[(E,3R)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-3-fluoro-5-hydroxycyclopentyl]hept-5-enoic acid
Synonyms
AL 8810 | AL8810
Database Links
CAS Registry No. 246246-19-5 (source: Scifinder)
ChEMBL Ligand CHEMBL1332680
GtoPdb PubChem SID 135649914
PubChem CID 5311238
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