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BioLiP

PDB CCD ID: W8B
Number of entries in BioLiP: 1
Chemical formula: C8 H10 Cl N3 O2
InChI: InChI=1S/C8H10ClN3O2/c9-7-6(5-10-11-8(7)13)12-1-3-14-4-2-12/h5H,1-4H2,(H,11,13)
InChIKey: NXBBUGQZWHZSPQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385ClC1=C(C=NNC1=O)N2CCOCC2
OpenEye OEToolkits 2.0.7C1COCCN1C2=C(C(=O)NN=C2)Cl
ACDLabs 12.01ClC1=C(C=NNC1=O)N1CCOCC1
Name:4-chloro-5-(morpholin-4-yl)pyridazin-3(2H)-one
ZINC: ZINC000008622318
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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