BioLiP

PDB

BioLiP

PDB CCD ID:

7KZ

Number of entries in BioLiP:

Chemical formula:

C22 H35 N5 O2

InChI:

InChI=1S/C22H35N5O2/c1-5-6-7-8-11-23-22-25-18-15-20(29-4)19(28-3)14-17(18)21(26-22)24-16-9-12-27(2)13-10-16/h14-16H,5-13H2,1-4H3,(H2,23,24,25,26)

InChIKey:

ZYNUWSFRZCRKSN-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCCCCCNc1nc(NC2CCN(C)CC2)c3cc(OC)c(OC)cc3n1
ACDLabs 12.01	C(CCCC)CNc3nc(NC1CCN(C)CC1)c2cc(c(OC)cc2n3)OC
OpenEye OEToolkits 2.0.6	CCCCCCNc1nc2cc(c(cc2c(n1)NC3CCN(CC3)C)OC)OC

Name:

N4-(1-methylpiperidin-4-yl)-N2-hexyl-6,7-dimethoxyquinazoline-2,4-diamine;
N~2~-hexyl-6,7-dimethoxy-N~4~-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine

ChEMBL:

CHEMBL4086403

ZINC:

ZINC000584905484

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).