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BioLiP

PDB CCD ID: R2O
Number of entries in BioLiP: 4
Chemical formula: C9 H10 F N3
InChI: InChI=1S/C9H10FN3/c10-7-1-3-8(4-2-7)13-9-11-5-6-12-9/h1-4H,5-6H2,(H2,11,12,13)
InChIKey: IOUVWAKVDFTALH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01
CACTVS 3.385		Fc1ccc(NC2=NCCN2)cc1
OpenEye OEToolkits 2.0.7c1cc(ccc1NC2=NCCN2)F
Name:N-(4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine
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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