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BioLiP

PDB CCD ID: 5G8
Number of entries in BioLiP: 4
Chemical formula: C14 H16 Cl2 N2 O
InChI: InChI=1S/C14H16Cl2N2O/c15-12-4-5-14(13(16)10-12)19-9-3-1-2-7-18-8-6-17-11-18/h4-6,8,10-11H,1-3,7,9H2
InChIKey: RCLGZIGOWPMCRV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1cc(c(cc1Cl)Cl)OCCCCCn2ccnc2
ACDLabs 12.01c2(OCCCCCn1ccnc1)c(Cl)cc(cc2)Cl
CACTVS 3.385Clc1ccc(OCCCCCn2ccnc2)c(Cl)c1
Name:1-[5-(2,4-dichlorophenoxy)pentyl]-1H-imidazole
ZINC: ZINC000002898719
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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