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BioLiP

PDB CCD ID: KRM
Number of entries in BioLiP: 1
Chemical formula: C19 H19 N3 O2
InChI: InChI=1S/C19H19N3O2/c1-2-4-16(5-3-1)24-17-8-6-15(7-9-17)18-14-19(21-20-18)22-10-12-23-13-11-22/h1-9,14H,10-13H2,(H,20,21)
InChIKey: WQWBZRVAFAMASC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352C1CN(CCO1)c2cc([nH]n2)c3ccc(Oc4ccccc4)cc3
ACDLabs 10.04n3nc(c2ccc(Oc1ccccc1)cc2)cc3N4CCOCC4
OpenEye OEToolkits 1.6.1c1ccc(cc1)Oc2ccc(cc2)c3cc(n[nH]3)N4CCOCC4
Name:4-[5-(4-PHENOXYPHENYL)-1H-PYRAZOL-3-YL]MORPHOLINE
ChEMBL: CHEMBL241634
ZINC: ZINC000000143094
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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