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BioLiP

PDB CCD ID: OV4
Number of entries in BioLiP: 1
Chemical formula: C23 H23 N5 O
InChI: InChI=1S/C23H23N5O/c1-26(2)19-12-14-20(15-13-19)27(16-18-8-4-3-5-9-18)23(29)17-28-22-11-7-6-10-21(22)24-25-28/h3-15H,16-17H2,1-2H3
InChIKey: KOZCSUYCMLWBNN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CN(C)c1ccc(cc1)N(Cc2ccccc2)C(=O)Cn3c4ccccc4nn3
CACTVS 3.385CN(C)c1ccc(cc1)N(Cc2ccccc2)C(=O)Cn3nnc4ccccc34
ACDLabs 12.01CN(C)c1ccc(cc1)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21
Name:2-(1H-benzotriazol-1-yl)-N-benzyl-N-[4-(dimethylamino)phenyl]acetamide
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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