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BioLiP

PDB CCD ID: ZYI
Number of entries in BioLiP: 2
Chemical formula: C14 H15 Cl N2 O2
InChI: InChI=1S/C14H15ClN2O2/c15-10-5-6-12-11(8-10)16-14(19-12)17-13(18)7-9-3-1-2-4-9/h5-6,8-9H,1-4,7H2,(H,16,17,18)
InChIKey: QXFNONNLQZPIAQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370Clc1ccc2oc(NC(=O)CC3CCCC3)nc2c1
OpenEye OEToolkits 1.7.0c1cc2c(cc1Cl)nc(o2)NC(=O)CC3CCCC3
ACDLabs 12.01Clc1cc2nc(oc2cc1)NC(=O)CC3CCCC3
Name:N-(5-chloro-1,3-benzoxazol-2-yl)-2-cyclopentylacetamide
ChEMBL: CHEMBL1689794
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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