BioLiP

PDB

BioLiP

PDB CCD ID:

CF3

Number of entries in BioLiP:

Chemical formula:

C15 H18 F3 N O2

InChI:

InChI=1S/C15H18F3NO2/c16-15(17,18)13(20)10-6-1-2-7-11-14(21)19-12-8-4-3-5-9-12/h3-5,8-9H,1-2,6-7,10-11H2,(H,19,21)

InChIKey:

KRCXZGYVOZSCSF-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1ccc(cc1)NC(=O)CCCCCCC(=O)C(F)(F)F
ACDLabs 10.04	O=C(Nc1ccccc1)CCCCCCC(=O)C(F)(F)F
CACTVS 3.341	FC(F)(F)C(=O)CCCCCCC(=O)Nc1ccccc1

Name:

9,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDE

ChEMBL:

CHEMBL113537

DrugBank:

DB07553

ZINC:

ZINC000001553046

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).