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BioLiP

PDB CCD ID: 2ZW
Number of entries in BioLiP: 4
Chemical formula: C20 H19 Cl N2 O2
InChI: InChI=1S/C20H19ClN2O2/c1-12(2)14-8-10-15(11-9-14)22-20(24)18-13(3)25-23-19(18)16-6-4-5-7-17(16)21/h4-12H,1-3H3,(H,22,24)
InChIKey: WRQYTVUHKWFTAU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1c(c(no1)c2ccccc2Cl)C(=O)Nc3ccc(cc3)C(C)C
CACTVS 3.385CC(C)c1ccc(NC(=O)c2c(C)onc2c3ccccc3Cl)cc1
ACDLabs 12.01Clc1ccccc1c2noc(c2C(=O)Nc3ccc(cc3)C(C)C)C
Name:3-(2-chlorophenyl)-5-methyl-N-[4-(propan-2-yl)phenyl]-1,2-oxazole-4-carboxamide
ZINC: ZINC000001045123
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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