BioLiP

PDB

BioLiP

PDB CCD ID:

7JG

Number of entries in BioLiP:

Chemical formula:

C20 H12 F2 N2 O2

InChI:

InChI=1S/C20H12F2N2O2/c21-13-5-1-11(2-6-13)15-9-16(25)19-18(20(26)24-10-23-19)17(15)12-3-7-14(22)8-4-12/h1-10,25H,(H,23,24,26)

InChIKey:

XHKWMBTVWDSDBK-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc(ccc1c2cc(c3c(c2c4ccc(cc4)F)C(=O)NC=N3)O)F
CACTVS 3.385	Oc1cc(c2ccc(F)cc2)c(c3ccc(F)cc3)c4C(=O)NC=Nc14

Name:

5,6-bis(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one;
5,6-bis(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one

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).