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FURNA

PDB CCD ID: TFX
Number of entries in FURNA: 6
Chemical formula: C17 H19 N2 S
InChI: InChI=1S/C17H19N2S/c1-12-5-10-15-16(11-12)20-17(19(15)4)13-6-8-14(9-7-13)18(2)3/h5-11H,1-4H3/q+1
InChIKey: FXEKRIDRIFBJOR-UHFFFAOYSA-N
SMILES: CN(C)c1ccc(cc1)c2sc3cc(C)ccc3[n+]2C;
Cc1ccc2c(c1)sc([n+]2C)c3ccc(cc3)N(C)C;
s2c1cc(ccc1[n+](c2c3ccc(N(C)C)cc3)C)C
Name:2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium;
Thioflavin T
ChEMBL: CHEMBL57267
ZINC: ZINC000003861628
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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