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FURNA

PDB CCD ID: JJH
Number of entries in FURNA: 1
Chemical formula: C29 H29 F2 N3 O8
InChI: InChI=1S/C29H29F2N3O8/c30-21-10-19-23(33(16-1-2-16)13-20(26(19)36)27(37)38)11-24(21)32-7-5-29(40,6-8-32)15-41-25-4-3-17(9-22(25)31)34-12-18(14-35)42-28(34)39/h3-4,9-11,13,16,18,35,40H,1-2,5-8,12,14-15H2,(H,37,38)/t18-/m1/s1
InChIKey: XWFCFMXQTBGXQW-GOSISDBHSA-N
SMILES: c1cc(c(cc1N2CC(OC2=O)CO)F)OCC3(CCN(CC3)c4cc5c(cc4F)C(=O)C(=CN5C6CC6)C(=O)O)O;
OC[CH]1CN(C(=O)O1)c2ccc(OCC3(O)CCN(CC3)c4cc5N(C=C(C(O)=O)C(=O)c5cc4F)C6CC6)c(F)c2;
OC[C@H]1CN(C(=O)O1)c2ccc(OCC3(O)CCN(CC3)c4cc5N(C=C(C(O)=O)C(=O)c5cc4F)C6CC6)c(F)c2;
c1cc(c(cc1N2C[C@@H](OC2=O)CO)F)OCC3(CCN(CC3)c4cc5c(cc4F)C(=O)C(=CN5C6CC6)C(=O)O)O
Name:cadazolid
ChEMBL: CHEMBL3707376
DrugBank: DB11847
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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