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BioLiP

PDB CCD ID: X0V
Number of entries in BioLiP: 4
Chemical formula: C7 H7 F3 N2
InChI: InChI=1S/C7H7F3N2/c8-7(9,10)4-1-2-5(11)6(12)3-4/h1-3H,11-12H2
InChIKey: RQWJHUJJBYMJMN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04FC(F)(F)c1cc(N)c(N)cc1
OpenEye OEToolkits 1.6.1c1cc(c(cc1C(F)(F)F)N)N
CACTVS 3.352Nc1ccc(cc1N)C(F)(F)F
Name:4-(TRIFLUOROMETHYL)BENZENE-1,2-DIAMINE
ChEMBL: CHEMBL1236744
ZINC: ZINC000000092915
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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