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A1CP4

Summary
Name:N-(4-fluorophenyl)-N'-{2-[3-(pyridin-2-yl)-1H-pyrazol-1-yl]ethyl}urea
Formula:C17 H16 F N5 O
Formal charge:0
Formula weight:325.34 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52N-(4-fluorophenyl)-N'-{2-[3-(pyridin-2-yl)-1H-pyrazol-1-yl]ethyl}urea
OpenEye OEToolkits3.1.0.01-(4-fluorophenyl)-3-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]urea

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52Fc1ccc(cc1)NC(=O)NCCn1ccc(n1)c1ccccn1
InChIInChI1.06InChI=1S/C17H16FN5O/c18-13-4-6-14(7-5-13)21-17(24)20-10-12-23-11-8-16(22-23)15-3-1-2-9-19-15/h1-9,11H,10,12H2,(H2,20,21,24)
InChIKeyInChI1.06PLVBYCVJVXNERE-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Fc1ccc(NC(=O)NCCn2ccc(n2)c3ccccn3)cc1
SMILESCACTVS3.385Fc1ccc(NC(=O)NCCn2ccc(n2)c3ccccn3)cc1
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1ccnc(c1)c2ccn(n2)CCNC(=O)Nc3ccc(cc3)F
SMILESOpenEye OEToolkits3.1.0.0c1ccnc(c1)c2ccn(n2)CCNC(=O)Nc3ccc(cc3)F

253795

PDB entries from 2026-05-20

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