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BioLiP

PDB CCD ID: SNT
Number of entries in BioLiP: 1
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:
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1c(c(n(n1)c2ccccc2)C)C=NN3CCN(CC3)Cc4ccccc4
ACDLabs 12.01N(=C/c1c(n(nc1C)c2ccccc2)C)\N3CCN(CC3)Cc4ccccc4
CACTVS 3.385Cc1nn(c2ccccc2)c(C)c1C=NN3CCN(CC3)Cc4ccccc4
OpenEye OEToolkits 1.7.6Cc1c(c(n(n1)c2ccccc2)C)/C=N/N3CCN(CC3)Cc4ccccc4
CACTVS 3.385Cc1nn(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, Peter L 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).

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