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A1JF8

Summary
Name:~{N}-(5-cyclopentyl-1~{H}-pyrazol-3-yl)-4-fluoranyl-2-nitro-benzamide
Formula:C15 H15 F N4 O3
Formal charge:0
Formula weight:318.303 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}-(5-cyclopentyl-1~{H}-pyrazol-3-yl)-4-fluoranyl-2-nitro-benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C15H15FN4O3/c16-10-5-6-11(13(7-10)20(22)23)15(21)17-14-8-12(18-19-14)9-3-1-2-4-9/h5-9H,1-4H2,(H2,17,18,19,21)
InChIKeyInChI1.06CQBSPGYQXPGRJJ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385[O-][N+](=O)c1cc(F)ccc1C(=O)Nc2cc([nH]n2)C3CCCC3
SMILESCACTVS3.385[O-][N+](=O)c1cc(F)ccc1C(=O)Nc2cc([nH]n2)C3CCCC3
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(c(cc1F)[N+](=O)[O-])C(=O)Nc2cc([nH]n2)C3CCCC3
SMILESOpenEye OEToolkits2.0.7c1cc(c(cc1F)[N+](=O)[O-])C(=O)Nc2cc([nH]n2)C3CCCC3

250835

PDB entries from 2026-03-18

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