BioLiP

PDB

BioLiP

PDB CCD ID:

X0G

Number of entries in BioLiP:

Chemical formula:

C10 H15 N3 O2

InChI:

InChI=1S/C10H15N3O2/c1-2-8(1)10-11-9(15-12-10)7-13-3-5-14-6-4-13/h8H,1-7H2

InChIKey:

PAJXOLYFZZURHI-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	C3N(Cc1nc(no1)C2CC2)CCOC3
OpenEye OEToolkits 2.0.7	C1CC1c2nc(on2)CN3CCOCC3
CACTVS 3.385	C1CN(CCO1)Cc2onc(n2)C3CC3

Name:

4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]morpholine

ZINC:

ZINC000040493773

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).