BioLiP

PDB

BioLiP

PDB CCD ID:

V7M

Number of entries in BioLiP:

Chemical formula:

C8 H9 F

InChI:

InChI=1S/C8H9F/c1-6-3-7(2)5-8(9)4-6/h3-5H,1-2H3

InChIKey:

RCWIWNUVHNAUQC-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1cc(cc(c1)F)C
ACDLabs 12.01	Cc1cc(cc(c1)C)F
CACTVS 3.385	Cc1cc(C)cc(F)c1

Name:

1-fluoro-3,5-dimethylbenzene

ZINC:

ZINC000002169281

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).