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BioLiP

PDB CCD ID: A1ABA
Number of entries in BioLiP: 1
Chemical formula: C12 H14 F3 N O2
InChI: InChI=1S/C12H14F3NO2/c13-12(14,15)10-1-2-11(9(7-10)8-17)16-3-5-18-6-4-16/h1-2,7,17H,3-6,8H2
InChIKey: KYVJYGRFMSNHDV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OCc1cc(ccc1N2CCOCC2)C(F)(F)F
OpenEye OEToolkits 2.0.7c1cc(c(cc1C(F)(F)F)CO)N2CCOCC2
ACDLabs 12.01FC(F)(F)c1cc(CO)c(cc1)N1CCOCC1
Name:[2-(morpholin-4-yl)-5-(trifluoromethyl)phenyl]methanol
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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