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BioLiP

PDB CCD ID: QTV
Number of entries in BioLiP: 1
Chemical formula: C11 H10 F N3 O2
InChI: InChI=1S/C11H10FN3O2/c1-8-13-11(15(16)17)7-14(8)6-9-2-4-10(12)5-3-9/h2-5,7H,6H2,1H3
InChIKey: ANWLFOLYHZHQIN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1nc(cn1Cc2ccc(F)cc2)[N+]([O-])=O
OpenEye OEToolkits 2.0.7Cc1nc(cn1Cc2ccc(cc2)F)[N+](=O)[O-]
ACDLabs 12.01n2c(cn(Cc1ccc(cc1)F)c2C)[N+]([O-])=O
Name:1-[(4-fluorophenyl)methyl]-2-methyl-4-nitro-1H-imidazole
ChEMBL: CHEMBL4635871
ZINC: ZINC000000083480
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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