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BioLiP

PDB CCD ID: BBO
Number of entries in BioLiP: 1
Chemical formula: C19 H20 N2 O3
InChI: InChI=1S/C19H20N2O3/c22-18-15-6-1-4-14-5-2-7-16(17(14)15)19(23)21(18)9-3-8-20-10-12-24-13-11-20/h1-2,4-7H,3,8-13H2
InChIKey: GQPIEFFYGONFTJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=C1N(CCCN2CCOCC2)C(=O)c3cccc4cccc1c34
ACDLabs 12.01c1c3c4c(cc1)cccc4C(=O)N(CCCN2CCOCC2)C3=O
OpenEye OEToolkits 2.0.6c1cc2cccc3c2c(c1)C(=O)N(C3=O)CCCN4CCOCC4
Name:2-[3-(morpholin-4-yl)propyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione
ChEMBL: CHEMBL4069989
ZINC: ZINC000019642790
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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