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BioLiP

PDB CCD ID: OHZ
Number of entries in BioLiP: 2
Chemical formula: C16 H14 Cl F3 N2 O3
InChI: InChI=1S/C16H14ClF3N2O3/c17-11-7-12(9-13(8-11)25-16(18,19)20)21-15(24)22-14-4-2-1-3-10(14)5-6-23/h1-4,7-9,23H,5-6H2,(H2,21,22,24)
InChIKey: MFPOPEHXGDSREH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OCCc1ccccc1NC(=O)Nc2cc(Cl)cc(OC(F)(F)F)c2
OpenEye OEToolkits 2.0.7c1ccc(c(c1)CCO)NC(=O)Nc2cc(cc(c2)Cl)OC(F)(F)F
Name:1-(3-Chloro-5-trifluoromethoxy-phenyl)-3-[2-(2-hydroxy-ethyl)-phenyl]-urea;
1-[3-chloranyl-5-(trifluoromethyloxy)phenyl]-3-[2-(2-hydroxyethyl)phenyl]urea
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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