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BioLiP

PDB CCD ID: OWZ
Number of entries in BioLiP: 4
Chemical formula: C11 H14 Cl N O
InChI: InChI=1S/C11H14ClNO/c1-8-7-14-11(6-13-8)9-4-2-3-5-10(9)12/h2-5,8,11,13H,6-7H2,1H3/t8-,11-/m0/s1
InChIKey: MCDIIVJZXXFTDP-KWQFWETISA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		C[C@H]1CO[C@@H](CN1)c2ccccc2Cl
OpenEye OEToolkits 2.0.7CC1COC(CN1)c2ccccc2Cl
CACTVS 3.385C[CH]1CO[CH](CN1)c2ccccc2Cl
Name:(2~{R},5~{S})-2-(2-chlorophenyl)-5-methyl-morpholine
ZINC: ZINC000032012607
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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