BioLiP

PDB

BioLiP

PDB CCD ID:

OOY

Number of entries in BioLiP:

Chemical formula:

C27 H29 N3 O4

InChI:

InChI=1S/C27H29N3O4/c31-27(21-5-4-8-24(19-21)34-23-6-2-1-3-7-23)28-25-10-9-22(29-11-15-32-16-12-29)20-26(25)30-13-17-33-18-14-30/h1-10,19-20H,11-18H2,(H,28,31)

InChIKey:

NPIWJUNMCKXNKZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O=C(Nc1ccc(cc1N2CCOCC2)N3CCOCC3)c4cccc(Oc5ccccc5)c4
ACDLabs 12.01	c2cc(c(N1CCOCC1)cc2N3CCOCC3)NC(=O)c4cc(ccc4)Oc5ccccc5
OpenEye OEToolkits 2.0.7	c1ccc(cc1)Oc2cccc(c2)C(=O)Nc3ccc(cc3N4CCOCC4)N5CCOCC5

Name:

N-[2,4-bis(morpholin-4-yl)phenyl]-3-phenoxybenzamide

ChEMBL:

CHEMBL4793897

ZINC:

ZINC000009642990

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).