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BioLiP

PDB CCD ID: 2XY
Number of entries in BioLiP: 1
Chemical formula: C11 H12 F3 N3 O3
InChI: InChI=1S/C11H12F3N3O3/c12-11(13,14)8-1-2-9(10(7-8)17(18)19)15-16-3-5-20-6-4-16/h1-2,7,15H,3-6H2
InChIKey: XUPDNGHJBHPAKD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385[O-][N+](=O)c1cc(ccc1NN2CCOCC2)C(F)(F)F
OpenEye OEToolkits 1.7.5c1cc(c(cc1C(F)(F)F)[N+](=O)[O-])NN2CCOCC2
Name:N-[2-nitro-4-(trifluoromethyl)phenyl]morpholin-4-amine
ZINC: ZINC000058632730
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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