BioLiP

PDB

BioLiP

PDB CCD ID:

63R

Number of entries in BioLiP:

Chemical formula:

C24 H29 N3 O3

InChI:

InChI=1S/C24H29N3O3/c1-19(28)27(22-6-3-2-4-7-22)23-8-5-13-26(18-23)24(29)20-9-11-21(12-10-20)25-14-16-30-17-15-25/h2-4,6-7,9-12,23H,5,8,13-18H2,1H3/t23-/m1/s1

InChIKey:

ZPBAECMYHZRSTO-HSZRJFAPSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(=O)N(c1ccccc1)C2CCCN(C2)C(=O)c3ccc(cc3)N4CCOCC4
OpenEye OEToolkits 2.0.7	CC(=O)N(c1ccccc1)[C@@H]2CCCN(C2)C(=O)c3ccc(cc3)N4CCOCC4
CACTVS 3.385	CC(=O)N([C@@H]1CCCN(C1)C(=O)c2ccc(cc2)N3CCOCC3)c4ccccc4
ACDLabs 12.01	C4N(C(=O)c1ccc(cc1)N2CCOCC2)CC(N(C(C)=O)c3ccccc3)CC4
CACTVS 3.385	CC(=O)N([CH]1CCCN(C1)C(=O)c2ccc(cc2)N3CCOCC3)c4ccccc4

Name:

N-{(3R)-1-[4-(morpholin-4-yl)benzene-1-carbonyl]piperidin-3-yl}-N-phenylacetamide

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).