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77R

Summary
Name:5-(4-fluorophenyl)-2,3-dihydroxy-N-(5-imidazol-1-ylpentyl)benzamide
Formula:C21 H22 F N3 O3
Formal charge:0
Formula weight:383.416 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014'-fluoro-4,5-dihydroxy-N-[5-(1H-imidazol-1-yl)pentyl][1,1'-biphenyl]-3-carboxamide
OpenEye OEToolkits1.7.65-(4-fluorophenyl)-N-(5-imidazol-1-ylpentyl)-2,3-bis(oxidanyl)benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(c2cc(c1ccc(F)cc1)cc(c2O)O)(=O)NCCCCCn3cncc3
InChIInChI1.03InChI=1S/C21H22FN3O3/c22-17-6-4-15(5-7-17)16-12-18(20(27)19(26)13-16)21(28)24-8-2-1-3-10-25-11-9-23-14-25/h4-7,9,11-14,26-27H,1-3,8,10H2,(H,24,28)
InChIKeyInChI1.03WQIGOCFLNCQOJK-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Oc1cc(cc(c1O)C(=O)NCCCCCn2ccnc2)c3ccc(F)cc3
SMILESCACTVS3.385Oc1cc(cc(c1O)C(=O)NCCCCCn2ccnc2)c3ccc(F)cc3
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCCCCn3ccnc3)F
SMILESOpenEye OEToolkits1.7.6c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCCCCn3ccnc3)F

224931

数据于2024-09-11公开中

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