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BioLiP Library

PDB CCD ID: XDF
Number of entries in BioLiP: 0
Chemical formula: C12 H14 N2 O2
InChI: InChI=1S/C12H14N2O2/c1-7-4-10(13)9-5-8(15-2)6-11(16-3)12(9)14-7/h4-6H,1-3H3,(H2,13,14)
InChIKey: PHFIVVCFXROADV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1cc(c2cc(cc(c2n1)OC)OC)N
CACTVS 3.385COc1cc(OC)c2nc(C)cc(N)c2c1
ACDLabs 12.01COc1cc(cc2c(N)cc(C)nc12)OC
Name:6,8-dimethoxy-2-methylquinolin-4-amine
ZINC: ZINC000014987950
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)(download the PDF file).
  • 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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