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M0I

Summary
Name:4-({N-[2-(benzylamino)-2-oxoethyl]-4-(dimethylamino)benzamido}methyl)-3-fluoro-N-hydroxybenzamide
Formula:C26 H27 F N4 O4
Formal charge:0
Formula weight:478.515 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-({N-[2-(benzylamino)-2-oxoethyl]-4-(dimethylamino)benzamido}methyl)-3-fluoro-N-hydroxybenzamide
OpenEye OEToolkits2.0.74-[[[4-(dimethylamino)phenyl]carbonyl-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]amino]methyl]-3-fluoranyl-~{N}-oxidanyl-benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CN(C)c1ccc(cc1)C(=O)N(Cc1ccc(cc1F)C(=O)NO)CC(=O)NCc1ccccc1
InChIInChI1.03InChI=1S/C26H27FN4O4/c1-30(2)22-12-10-19(11-13-22)26(34)31(17-24(32)28-15-18-6-4-3-5-7-18)16-21-9-8-20(14-23(21)27)25(33)29-35/h3-14,35H,15-17H2,1-2H3,(H,28,32)(H,29,33)
InChIKeyInChI1.03GBIQEYYBFBGNOZ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(C)c1ccc(cc1)C(=O)N(CC(=O)NCc2ccccc2)Cc3ccc(cc3F)C(=O)NO
SMILESCACTVS3.385CN(C)c1ccc(cc1)C(=O)N(CC(=O)NCc2ccccc2)Cc3ccc(cc3F)C(=O)NO
SMILES_CANONICALOpenEye OEToolkits2.0.7CN(C)c1ccc(cc1)C(=O)N(Cc2ccc(cc2F)C(=O)NO)CC(=O)NCc3ccccc3
SMILESOpenEye OEToolkits2.0.7CN(C)c1ccc(cc1)C(=O)N(Cc2ccc(cc2F)C(=O)NO)CC(=O)NCc3ccccc3

222415

PDB entries from 2024-07-10

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