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BioLiP

PDB CCD ID: O1X
Number of entries in BioLiP: 1
Chemical formula: C10 H12 F2 N2 O2
InChI: InChI=1S/C10H12F2N2O2/c1-6-3-4-13-5-8(6)14-9(15)7(2)16-10(11)12/h3-5,7,10H,1-2H3,(H,14,15)/t7-/m0/s1
InChIKey: XVSORZZOZIKMAO-ZETCQYMHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1ccncc1NC(=O)C(C)OC(F)F
ACDLabs 12.01O=C(Nc1cnccc1C)C(C)OC(F)F
CACTVS 3.385C[CH](OC(F)F)C(=O)Nc1cnccc1C
CACTVS 3.385C[C@H](OC(F)F)C(=O)Nc1cnccc1C
OpenEye OEToolkits 2.0.7Cc1ccncc1NC(=O)[C@H](C)OC(F)F
Name:(2S)-2-(difluoromethoxy)-N-(4-methylpyridin-3-yl)propanamide
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)(download the PDF file).
  • 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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