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BioLiP

PDB CCD ID: 5G7
Number of entries in BioLiP: 2
Chemical formula: C20 H17 N O2
InChI: InChI=1S/C20H17NO2/c1-14-4-2-3-5-19(14)21-20(15-6-10-17(22)11-7-15)16-8-12-18(23)13-9-16/h2-13,22-23H,1H3
InChIKey: NPBTTYXOISVXOO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2Cc1ccccc1N=C(c2ccc(cc2)O)c3ccc(cc3)O
CACTVS 3.385Cc1ccccc1N=C(c2ccc(O)cc2)c3ccc(O)cc3
ACDLabs 12.01Oc1ccc(cc1)/C(c2ccc(cc2)O)=N/c3c(C)cccc3
Name:4,4'-[(2-methylphenyl)carbonimidoyl]diphenol
ChEMBL: CHEMBL3234614
ZINC: ZINC000169310320
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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