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FURNA

PDB CCD ID: J0D
Number of entries in FURNA: 2
Chemical formula: C19 H17 N2 S
InChI: InChI=1S/C19H17N2S/c1-20-12-11-14(15-7-3-4-8-16(15)20)13-19-21(2)17-9-5-6-10-18(17)22-19/h3-13H,1-2H3/q+1
InChIKey: XRXJDLHDDHBJOJ-UHFFFAOYSA-N
SMILES: CN1\C(Sc2ccccc12)=C\c3cc[n+](C)c4ccccc34;
C[n+]1ccc(c2c1cccc2)C=C3N(c4ccccc4S3)C;
CN1C(Sc2ccccc12)=Cc3cc[n+](C)c4ccccc34;
CN4c1ccccc1SC4=[C@H]c3c2c(cccc2)[n+](cc3)C;
C[n+]1ccc(c2c1cccc2)/C=C\3/N(c4ccccc4S3)C
Name:1-methyl-4-[(Z)-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]quinolin-1-ium;
Thiazole orange
ChEMBL: CHEMBL4117515
ZINC: ZINC000001081175
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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