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BioLiP

PDB CCD ID: ZVE
Number of entries in BioLiP: 1
Chemical formula: C10 H14 F3 N3
InChI: InChI=1S/C10H14F3N3/c1-16-6-8(10(11,12)13)15-9(16)7-3-2-4-14-5-7/h6-7,14H,2-5H2,1H3/t7-/m1/s1
InChIKey: ZPUMPEAGLZCEBQ-SSDOTTSWSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Cn1cc(nc1C1CNCCC1)C(F)(F)F
OpenEye OEToolkits 2.0.7Cn1cc(nc1C2CCCNC2)C(F)(F)F
CACTVS 3.385
OpenEye OEToolkits 2.0.7		Cn1cc(nc1[C@@H]2CCCNC2)C(F)(F)F
CACTVS 3.385Cn1cc(nc1[CH]2CCCNC2)C(F)(F)F
Name:(3R)-3-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
ZINC: ZINC000238860517
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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