[3H]LXA4   Click here for help

GtoPdb Ligand ID: 3411

Synonyms: [3H]-LXA4
 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 14
Topological polar surface area 97.99
Molecular weight 354.24
XLogP 3.04
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES CCCCCC(C=C[CH2]=[CH2]C=CC=CC(C(CCCC(=O)O)O)O)O
Isomeric SMILES CCCCC[C@@H](/C=C/[CH](=[CH](/C=C/C=C/[C@H]([C@H](CCCC(=O)O)O)O)[3H])[3H])O
InChI InChI=1S/C20H34O5/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18(22)19(23)15-11-16-20(24)25/h5,7,9-10,13-14,17-19,21-23H,2-4,6,8,11-12,15-16H2,1H3,(H,24,25)/b7-5+,13-9+,14-10+/t17-,18+,19-/m0/s1/i4T,6T
InChI Key BIAXEQCLMUBCBP-BASHJZMHSA-N
Classification Click here for help
Compound class Synthetic organic
Synonyms Click here for help
[3H]-LXA4
Database Links Click here for help
GtoPdb PubChem SID 178100417
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