BioLiP

PDB

BioLiP

PDB CCD ID:

NB0

Number of entries in BioLiP:

Chemical formula:

C20 H18 F N3 O2

InChI:

InChI=1S/C20H18FN3O2/c21-16-6-2-4-8-18(16)23-9-11-24(12-10-23)20(26)15-13-19(25)22-17-7-3-1-5-14(15)17/h1-8,13H,9-12H2,(H,22,25)

InChIKey:

ONQQLMKVMVPYKH-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Fc1ccccc1N2CCN(CC2)C(=O)C3=CC(=O)Nc4ccccc34
ACDLabs 12.01	O=C(C1=CC(=O)Nc2ccccc21)N1CCN(CC1)c1ccccc1F
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)C(=CC(=O)N2)C(=O)N3CCN(CC3)c4ccccc4F

Name:

4-[4-(2-fluorophenyl)piperazine-1-carbonyl]quinolin-2(1H)-one

ZINC:

ZINC000016527105

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).