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BioLiP

PDB CCD ID: N7L
Number of entries in BioLiP: 1
Chemical formula: C11 H13 F N2 O
InChI: InChI=1S/C11H13FN2O/c1-7-2-3-13-6-10(7)14-11(15)9-4-8(9)5-12/h2-3,6,8-9H,4-5H2,1H3,(H,14,15)/t8-,9+/m0/s1
InChIKey: TYFFVSFZMUBUOV-DTWKUNHWSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1ccncc1NC(=O)[CH]2C[CH]2CF
OpenEye OEToolkits 2.0.7Cc1ccncc1NC(=O)C2CC2CF
CACTVS 3.385
OpenEye OEToolkits 2.0.7		Cc1ccncc1NC(=O)[C@@H]2C[C@H]2CF
ACDLabs 12.01O=C(Nc1cnccc1C)C1CC1CF
Name:(1R,2R)-2-(fluoromethyl)-N-(4-methylpyridin-3-yl)cyclopropane-1-carboxamide
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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