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LBH

Summary
Name:Panobinostat
Formula:C21 H23 N3 O2
Formal charge:0
Formula weight:349.426 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.4(~{E})-3-[4-[[2-(2-methyl-1~{H}-indol-3-yl)ethylamino]methyl]phenyl]-~{N}-oxidanyl-prop-2-enamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+
InChIKeyInChI1.03FPOHNWQLNRZRFC-ZHACJKMWSA-N
SMILES_CANONICALCACTVS3.385Cc1[nH]c2ccccc2c1CCNCc3ccc(/C=C/C(=O)NO)cc3
SMILESCACTVS3.385Cc1[nH]c2ccccc2c1CCNCc3ccc(C=CC(=O)NO)cc3
SMILES_CANONICALOpenEye OEToolkits2.0.4Cc1c(c2ccccc2[nH]1)CCNCc3ccc(cc3)/C=C/C(=O)NO
SMILESOpenEye OEToolkits2.0.4Cc1c(c2ccccc2[nH]1)CCNCc3ccc(cc3)C=CC(=O)NO

222415

数据于2024-07-10公开中

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