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FURNA

PDB CCD ID: 2ZY
Number of entries in FURNA: 5
Chemical formula: C13 H9 F5 N2 O2
InChI: InChI=1S/C13H9F5N2O2/c1-6-19-10(12(22)20(6)5-13(16,17)18)4-7-2-8(14)11(21)9(15)3-7/h2-4,21H,5H2,1H3/b10-4-
InChIKey: AWYCLBWNRONMQC-WMZJFQQLSA-N
SMILES: O=C1C(\N=C(N1CC(F)(F)F)C)=C\c2cc(F)c(O)c(F)c2;
CC1=N/C(=C\c2cc(c(c(c2)F)O)F)/C(=O)N1CC(F)(F)F;
CC1=NC(=Cc2cc(F)c(O)c(F)c2)C(=O)N1CC(F)(F)F;
CC1=NC(=C/c2cc(F)c(O)c(F)c2)\C(=O)N1CC(F)(F)F;
CC1=NC(=Cc2cc(c(c(c2)F)O)F)C(=O)N1CC(F)(F)F
Name:(5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2-methyl-3-(2,2,2-trifluoroethyl)-3,5-dihydro-4H-imidazol-4-one
ZINC: ZINC000098208365

Reference:
  • Chengxin Zhang, P. Lydia Freddolino (2023) FURNA: a database for function annotations of RNA structures, bioRxiv 2023.12.19.572314.
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