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Summary
Name:5-{4-[3-chloro-5-(trifluoromethyl)phenyl]piperazine-1-sulfonyl}-N-[5-(hydroxyamino)-5-oxopentyl]-2,3-dihydro-1H-indole-1-carboxamide
Formula:C25 H29 Cl F3 N5 O5 S
Formal charge:0
Formula weight:604.041 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.015-{4-[3-chloro-5-(trifluoromethyl)phenyl]piperazine-1-sulfonyl}-N-[5-(hydroxyamino)-5-oxopentyl]-2,3-dihydro-1H-indole-1-carboxamide
OpenEye OEToolkits2.0.75-[4-[3-chloranyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-~{N}-[5-(oxidanylamino)-5-oxidanylidene-pentyl]-2,3-dihydroindole-1-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(c1cc2CCN(C(=O)NCCCCC(=O)NO)c2cc1)N1CCN(CC1)c1cc(cc(Cl)c1)C(F)(F)F
InChIInChI1.03InChI=1S/C25H29ClF3N5O5S/c26-19-14-18(25(27,28)29)15-20(16-19)32-9-11-33(12-10-32)40(38,39)21-4-5-22-17(13-21)6-8-34(22)24(36)30-7-2-1-3-23(35)31-37/h4-5,13-16,37H,1-3,6-12H2,(H,30,36)(H,31,35)
InChIKeyInChI1.03KWCPEZUHMIKCPD-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385ONC(=O)CCCCNC(=O)N1CCc2cc(ccc12)[S](=O)(=O)N3CCN(CC3)c4cc(Cl)cc(c4)C(F)(F)F
SMILESCACTVS3.385ONC(=O)CCCCNC(=O)N1CCc2cc(ccc12)[S](=O)(=O)N3CCN(CC3)c4cc(Cl)cc(c4)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc2c(cc1S(=O)(=O)N3CCN(CC3)c4cc(cc(c4)Cl)C(F)(F)F)CCN2C(=O)NCCCCC(=O)NO
SMILESOpenEye OEToolkits2.0.7c1cc2c(cc1S(=O)(=O)N3CCN(CC3)c4cc(cc(c4)Cl)C(F)(F)F)CCN2C(=O)NCCCCC(=O)NO

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건을2024-07-10부터공개중

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