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FURNA

PDB CCD ID: 7AL
Number of entries in FURNA: 2
Chemical formula: C20 H30 Cl N O4
InChI: InChI=1S/C20H30ClNO4/c1-10-13(6-15(24)12-5-17(25)22-18(12)26)20(4)9-11(21)8-19(2,3)16(20)7-14(10)23/h11-16,23-24H,1,5-9H2,2-4H3,(H,22,25,26)/t11-,12+,13-,14-,15-,16-,20+/m0/s1
InChIKey: LCBZIVZSFYGPBC-LWHFJPTFSA-N
SMILES: CC1(CC(CC2(C1CC(C(=C)C2CC(C3CC(=O)NC3=O)O)O)C)Cl)C;
C[C@]12C[C@H](CC([C@@H]1C[C@@H](C(=C)[C@@H]2C[C@@H]([C@H]3CC(=O)NC3=O)O)O)(C)C)Cl;
OC(CC2C1(C(C(C)(C)CC(C1)Cl)CC(O)\C2=C)C)C3CC(NC3=O)=O;
CC1(C)C[CH](Cl)C[C]2(C)[CH](C[CH](O)[CH]3CC(=O)NC3=O)C(=C)[CH](O)C[CH]12;
CC1(C)C[C@H](Cl)C[C@]2(C)[C@@H](C[C@H](O)[C@H]3CC(=O)NC3=O)C(=C)[C@@H](O)C[C@@H]12
Name:Chlorolissoclimide
ChEMBL: CHEMBL514096
ZINC: ZINC000005762419
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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