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BioLiP

PDB CCD ID: N09
Number of entries in BioLiP: 8
Chemical formula: C19 H14 Cl N3 O4
InChI: InChI=1S/C19H14ClN3O4/c1-26-16-8-11(6-7-14(16)20)22-17(24)10-23-18-12-4-2-3-5-15(12)27-19(25)13(18)9-21-23/h2-9H,10H2,1H3,(H,22,24)
InChIKey: DJHSRZJOSYWGCG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1cc(NC(=O)Cn2ncc3C(=O)Oc4ccccc4c23)ccc1Cl
OpenEye OEToolkits 1.7.6COc1cc(ccc1Cl)NC(=O)Cn2c-3c(cn2)C(=O)Oc4c3cccc4
ACDLabs 12.01Clc1ccc(cc1OC)NC(=O)Cn4ncc2c4c3c(OC2=O)cccc3
Name:N-(4-chloro-3-methoxyphenyl)-2-(4-oxochromeno[4,3-c]pyrazol-1(4H)-yl)acetamide
ChEMBL: CHEMBL3360632
ZINC: ZINC000098209199
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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