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BioLiP

PDB CCD ID: ZRY
Number of entries in BioLiP: 1
Chemical formula: C14 H12 N4
InChI: InChI=1S/C14H12N4/c15-13-11-8-4-5-9-12(11)14(16-13)18-17-10-6-2-1-3-7-10/h1-9,17H,(H2,15,16,18)
InChIKey: XBVFGEHZRVLBOS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC1=NC(=N/Nc2ccccc2)\c3ccccc13
CACTVS 3.385NC1=NC(=NNc2ccccc2)c3ccccc13
ACDLabs 14.52NC1=N/C(=N\Nc2ccccc2)c2ccccc12
OpenEye OEToolkits 3.1.0.0c1ccc(cc1)NN=C2c3ccccc3C(=N2)N
OpenEye OEToolkits 3.1.0.0c1ccc(cc1)N/N=C\2/c3ccccc3C(=N2)N
Name:(1Z,3Z)-3-(2-phenylhydrazinylidene)-2,3-dihydro-1H-isoindol-1-imine
ZINC: ZINC000070503730
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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