BioLiP

PDB

BioLiP

PDB CCD ID:

T3J

Number of entries in BioLiP:

Chemical formula:

C12 H14 F N O2

InChI:

InChI=1S/C12H14FNO2/c1-9(15)14-6-7-16-12(8-14)10-2-4-11(13)5-3-10/h2-5,12H,6-8H2,1H3/t12-/m0/s1

InChIKey:

HUEBTMPZBSOCPP-LBPRGKRZSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(=O)N1CCO[C@H](C1)c2ccc(cc2)F
ACDLabs 12.01	c1(ccc(F)cc1)C2CN(C(C)=O)CCO2
CACTVS 3.385	CC(=O)N1CCO[CH](C1)c2ccc(F)cc2
OpenEye OEToolkits 2.0.7	CC(=O)N1CCOC(C1)c2ccc(cc2)F
CACTVS 3.385	CC(=O)N1CCO[C@@H](C1)c2ccc(F)cc2

Name:

1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethan-1-one

ZINC:

ZINC000041172145

Reference:

Chengxin Zhang, Xi Zhang, Lydia 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).