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BioLiP

PDB CCD ID: 8QH
Number of entries in BioLiP: 1
Chemical formula: C20 H15 Cl2 N O3
InChI: InChI=1S/C20H15Cl2NO3/c1-10-2-4-11(5-3-10)23-9-14-15(24)7-6-12-13-8-16(25)17(21)18(22)20(13)26-19(12)14/h2-5,8-9,23,25H,6-7H2,1H3/b14-9+
InChIKey: ZCTFVCJEVPAGSA-NTEUORMPSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1ccc(N\C=C2/C(=O)CCc3c2oc4c(Cl)c(Cl)c(O)cc34)cc1
OpenEye OEToolkits 2.0.6Cc1ccc(cc1)NC=C2c3c(c4cc(c(c(c4o3)Cl)Cl)O)CCC2=O
CACTVS 3.385Cc1ccc(NC=C2C(=O)CCc3c2oc4c(Cl)c(Cl)c(O)cc34)cc1
OpenEye OEToolkits 2.0.6Cc1ccc(cc1)N/C=C\2/c3c(c4cc(c(c(c4o3)Cl)Cl)O)CCC2=O
Name:(4~{Z})-6,7-bis(chloranyl)-4-[[(4-methylphenyl)amino]methylidene]-8-oxidanyl-1,2-dihydrodibenzofuran-3-one
ChEMBL: CHEMBL3920024
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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