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FURNA

PDB CCD ID: VK0
Number of entries in FURNA: 6
Chemical formula: C26 H23 N2 O S
InChI: InChI=1S/C26H23N2OS/c1-27-15-14-20(17-26-28(2)24-6-4-5-7-25(24)30-26)22-16-19(10-13-23(22)27)18-8-11-21(29-3)12-9-18/h4-17H,1-3H3/q+1
InChIKey: STDKZFOWAXBTNR-UHFFFAOYSA-N
SMILES: COc1ccc(cc1)c2ccc3N(C)C=CC(=C\c4sc5ccccc5[n+]4C)/c3c2;
COc1ccc(cc1)c1ccc2c(c1)C(\C=CN2C)=C\c1sc2ccccc2[n+]1C;
C[n+]1c2ccccc2sc1/C=C/3\C=CN(c4c3cc(cc4)c5ccc(cc5)OC)C;
C[n+]1c2ccccc2sc1C=C3C=CN(c4c3cc(cc4)c5ccc(cc5)OC)C;
COc1ccc(cc1)c2ccc3N(C)C=CC(=Cc4sc5ccccc5[n+]4C)c3c2
Name:2-[(~{E})-[6-(4-methoxyphenyl)-1-methyl-quinolin-4-ylidene]methyl]-3-methyl-1,3-benzothiazole
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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