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SummaryGeometryRelated PDB entries

FXE

Summary
Name:1-(4-methoxy-1-methyl-indazol-3-yl)-3-(2-methoxyphenyl)urea
Formula:C17 H18 N4 O3
Formal charge:0
Formula weight:326.35 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-(4-methoxy-1-methyl-1H-indazol-3-yl)-3-(2-methoxyphenyl)urea
OpenEye OEToolkits1.9.21-(4-methoxy-1-methyl-indazol-3-yl)-3-(2-methoxyphenyl)urea

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(Nc1ccccc1OC)Nc3nn(c2cccc(OC)c23)C
InChIInChI1.03InChI=1S/C17H18N4O3/c1-21-12-8-6-10-14(24-3)15(12)16(20-21)19-17(22)18-11-7-4-5-9-13(11)23-2/h4-10H,1-3H3,(H2,18,19,20,22)
InChIKeyInChI1.03JTBMRDKIPGSWTG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ccccc1NC(=O)Nc2nn(C)c3cccc(OC)c23
SMILESCACTVS3.385COc1ccccc1NC(=O)Nc2nn(C)c3cccc(OC)c23
SMILES_CANONICALOpenEye OEToolkits1.9.2Cn1c2cccc(c2c(n1)NC(=O)Nc3ccccc3OC)OC
SMILESOpenEye OEToolkits1.9.2Cn1c2cccc(c2c(n1)NC(=O)Nc3ccccc3OC)OC

218853

PDB entries from 2024-04-24

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