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BioLiP Library

PDB CCD ID: VX5
Number of entries in BioLiP: 1
Chemical formula: C12 H22 N2 O
InChI: InChI=1S/C12H22N2O/c15-12(10-5-4-8-13-9-10)14-11-6-2-1-3-7-11/h10-11,13H,1-9H2,(H,14,15)/t10-/m1/s1
InChIKey: VFIIKPDGRULRPR-SNVBAGLBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1CCC(CC1)NC(=O)C2CCCNC2
OpenEye OEToolkits 2.0.7C1CCC(CC1)NC(=O)[C@@H]2CCCNC2
CACTVS 3.385O=C(NC1CCCCC1)[CH]2CCCNC2
CACTVS 3.385O=C(NC1CCCCC1)[C@@H]2CCCNC2
ACDLabs 12.01O=C(NC1CCCCC1)C1CCCNC1
Name:(3R)-N-cyclohexylpiperidine-3-carboxamide
ZINC: ZINC000019408979
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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