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BioLiP

PDB CCD ID: HFT
Number of entries in BioLiP: 8
Chemical formula: C11 H11 F3 N2 O4
InChI: InChI=1S/C11H11F3N2O4/c1-10(2,18)9(17)15-6-3-4-8(16(19)20)7(5-6)11(12,13)14/h3-5,18H,1-2H3,(H,15,17)
InChIKey: YPQLFJODEKMJEF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CC(C)(O)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
ACDLabs 10.04FC(F)(F)c1cc(ccc1[N+]([O-])=O)NC(=O)C(O)(C)C
OpenEye OEToolkits 1.5.0CC(C)(C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-])O
Name:HYDROXYFLUTAMIDE;
2-HYDROXY-2-METHYL-N-(4-NITRO-3-(TRIFLUOROMETHYL)PHENYL)PROPANAMIDE;
HYDROXYNIPHTHOLIDE
ChEMBL: CHEMBL491
ZINC: ZINC000004655055
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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