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BioLiP

PDB CCD ID: E84
Number of entries in BioLiP: 36
Chemical formula: C19 H27 N O3
InChI: InChI=1S/C19H27NO3/c21-18(23-16-13-20-11-14-22-15-12-20)19(9-5-2-6-10-19)17-7-3-1-4-8-17/h1,3-4,7-8H,2,5-6,9-16H2
InChIKey: RQHKZUBCUZVZEF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=C(OCCN1CCOCC1)C2(CCCCC2)c3ccccc3
OpenEye OEToolkits 2.0.7c1ccc(cc1)C2(CCCCC2)C(=O)OCCN3CCOCC3
Name:2-morpholin-4-ylethyl 1-phenylcyclohexane-1-carboxylate;
PRE-084
ChEMBL: CHEMBL305881
ZINC: ZINC000025756875
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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