BioLiP

PDB

BioLiP

PDB CCD ID:

SNT

Number of entries in BioLiP:

Chemical formula:

C23 H27 N5

InChI:

InChI=1S/C23H27N5/c1-19-23(20(2)28(25-19)22-11-7-4-8-12-22)17-24-27-15-13-26(14-16-27)18-21-9-5-3-6-10-21/h3-12,17H,13-16,18H2,1-2H3/b24-17+

InChIKey:

FOORCIAZMIWALX-JJIBRWJFSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	Cc1c(c(n(n1)c2ccccc2)C)C=NN3CCN(CC3)Cc4ccccc4
ACDLabs 12.01	N(=C/c1c(n(nc1C)c2ccccc2)C)\N3CCN(CC3)Cc4ccccc4
CACTVS 3.385	Cc1nn(c2ccccc2)c(C)c1C=NN3CCN(CC3)Cc4ccccc4
OpenEye OEToolkits 1.7.6	Cc1c(c(n(n1)c2ccccc2)C)/C=N/N3CCN(CC3)Cc4ccccc4
CACTVS 3.385	Cc1nn(c2ccccc2)c(C)c1\C=N\N3CCN(CC3)Cc4ccccc4

Name:

(E)-N-(4-benzylpiperazin-1-yl)-1-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methanimine;
SANT-1

ChEMBL:

CHEMBL515916

ZINC:

ZINC000019893370

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).