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BioLiP

PDB CCD ID: 1CJ
Number of entries in BioLiP: 0
Chemical formula: C10 H12 N2 O2
InChI: InChI=1S/C10H12N2O2/c1-2-14-10(13)8-7-11-12-6-4-3-5-9(8)12/h3-7,10,13H,2H2,1H3/t10-/m1/s1
InChIKey: PRBAQSLZJZOCSB-SNVBAGLBSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01n1cc(c2ccccn12)C(O)OCC
CACTVS 3.370CCO[CH](O)c1cnn2ccccc12
CACTVS 3.370CCO[C@@H](O)c1cnn2ccccc12
OpenEye OEToolkits 1.7.6CCOC(c1cnn2c1cccc2)O
OpenEye OEToolkits 1.7.6CCO[C@H](c1cnn2c1cccc2)O
Name:(R)-ethoxy(pyrazolo[1,5-a]pyridin-3-yl)methanol
ZINC: ZINC000098207944
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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