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BioLiP

PDB CCD ID: NQ3
Number of entries in BioLiP: 1
Chemical formula: C15 H12 Cl N3 O
InChI: InChI=1S/C15H12ClN3O/c1-11-5-6-17-10-14(11)19-8-7-18(15(19)20)13-4-2-3-12(16)9-13/h2-10H,1H3
InChIKey: NCRWUWJGTHEGCI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1ccncc1N2C=CN(c3cccc(Cl)c3)C2=O
OpenEye OEToolkits 2.0.7Cc1ccncc1N2C=CN(C2=O)c3cccc(c3)Cl
ACDLabs 12.01Clc1cccc(c1)N1C=CN(c2cnccc2C)C1=O
Name:(1M,3P)-1-(3-chlorophenyl)-3-(4-methylpyridin-3-yl)-1,3-dihydro-2H-imidazol-2-one
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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