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BioLiP

PDB CCD ID: O8B
Number of entries in BioLiP: 1
Chemical formula: C22 H20 N4 O2
InChI: InChI=1S/C22H20N4O2/c1-15-7-10-18(11-8-15)26-24-19-12-9-17(13-20(19)25-26)23-22(27)14-28-21-6-4-3-5-16(21)2/h3-13H,14H2,1-2H3,(H,23,27)
InChIKey: LKAZLKLHUAIYCE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0Cc1ccc(cc1)n2nc3ccc(cc3n2)NC(=O)COc4ccccc4C
CACTVS 3.370Cc1ccc(cc1)n2nc3ccc(NC(=O)COc4ccccc4C)cc3n2
ACDLabs 12.01O=C(Nc1ccc2nn(nc2c1)c3ccc(cc3)C)COc4ccccc4C
Name:2-(2-methylphenoxy)-N-[2-(4-methylphenyl)-2H-benzotriazol-5-yl]acetamide
ChEMBL: CHEMBL1612418
ZINC: ZINC000000843683
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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