LY503430   Click here for help

GtoPdb Ligand ID: 4251

Synonyms: LY 503430 | LY-503,430 | LY-503430
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 83.65
Molecular weight 392.16
XLogP 3.63
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CNC(=O)c1ccc(cc1)c1ccc(cc1)C(CNS(=O)(=O)C(C)C)(F)C
Isomeric SMILES CNC(=O)c1ccc(cc1)c1ccc(cc1)[C@](CNS(=O)(=O)C(C)C)(F)C
InChI InChI=1S/C20H25FN2O3S/c1-14(2)27(25,26)23-13-20(3,21)18-11-9-16(10-12-18)15-5-7-17(8-6-15)19(24)22-4/h5-12,14,23H,13H2,1-4H3,(H,22,24)/t20-/m0/s1
InChI Key MFJKNXILEXBWNQ-FQEVSTJZSA-N
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InChI standard identifier Download
InChI standard key Download

Molecular structure representations generated using Open Babel