compound 31 [PMID: 29968758]   Click here for help

GtoPdb Ligand ID: 10296

Synonyms: Trifluoromethoxy)phenyl)picolinoyl)-L-aspartic acid
Compound class: Synthetic organic
Comment: Agonist for the succinate receptor.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 131.48
Molecular weight 396.06
XLogP -0.64
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES [O-]C(=O)CC(C(=O)[O-])NC(=O)c1cccc(n1)c1ccc(cc1)OC(F)(F)F
Isomeric SMILES [O-]C(=O)C[C@@H](C(=O)[O-])NC(=O)c1cccc(n1)c1ccc(cc1)OC(F)(F)F
InChI InChI=1S/C17H13F3N2O6/c18-17(19,20)28-10-6-4-9(5-7-10)11-2-1-3-12(21-11)15(25)22-13(16(26)27)8-14(23)24/h1-7,13H,8H2,(H,22,25)(H,23,24)(H,26,27)/p-2/t13-/m0/s1
InChI Key TUTOXIPIHTUWDS-ZDUSSCGKSA-L
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(2S)-2-({6-[4-(trifluoromethoxy)phenyl]pyridin-2-yl}formamido)butanedioate
Synonyms Click here for help
Trifluoromethoxy)phenyl)picolinoyl)-L-aspartic acid
Database Links Click here for help
GtoPdb PubChem SID 381744977
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