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15X

Summary
Name:1-{4-[(2-fluoro-6-methoxy-3'-nitrobiphenyl-3-yl)methyl]phenyl}urea
Formula:C21 H18 F N3 O4
Formal charge:0
Formula weight:395.384 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs11.021-{4-[(2-fluoro-6-methoxy-3'-nitrobiphenyl-3-yl)methyl]phenyl}urea
OpenEye OEToolkits1.6.11-[4-[[2-fluoro-4-methoxy-3-(3-nitrophenyl)phenyl]methyl]phenyl]urea

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs11.02O=N(=O)c3cccc(c1c(F)c(ccc1OC)Cc2ccc(NC(=O)N)cc2)c3
SMILES_CANONICALCACTVS3.352COc1ccc(Cc2ccc(NC(N)=O)cc2)c(F)c1c3cccc(c3)[N](=O)=O
SMILESCACTVS3.352COc1ccc(Cc2ccc(NC(N)=O)cc2)c(F)c1c3cccc(c3)[N](=O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.0COc1ccc(c(c1c2cccc(c2)N(=O)=O)F)Cc3ccc(cc3)NC(=O)N
SMILESOpenEye OEToolkits1.7.0COc1ccc(c(c1c2cccc(c2)N(=O)=O)F)Cc3ccc(cc3)NC(=O)N
InChIInChI1.03InChI=1S/C21H18FN3O4/c1-29-18-10-7-15(11-13-5-8-16(9-6-13)24-21(23)26)20(22)19(18)14-3-2-4-17(12-14)25(27)28/h2-10,12H,11H2,1H3,(H3,23,24,26)
InChIKeyInChI1.03ANIKIUAKBPWSRA-UHFFFAOYSA-N

218500

PDB entries from 2024-04-17

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