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6G1

Summary
Name:cyclohexyl{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}methanone
Formula:C20 H25 N3 O3 S
Formal charge:0
Formula weight:387.496 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01cyclohexyl{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}methanone
OpenEye OEToolkits2.0.4cyclohexyl-(4-isoquinolin-5-ylsulfonylpiperazin-1-yl)methanone

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C1CN(CCN1C(=O)C2CCCCC2)S(=O)(=O)c4c3ccncc3ccc4
InChIInChI1.03InChI=1S/C20H25N3O3S/c24-20(16-5-2-1-3-6-16)22-11-13-23(14-12-22)27(25,26)19-8-4-7-17-15-21-10-9-18(17)19/h4,7-10,15-16H,1-3,5-6,11-14H2
InChIKeyInChI1.03RQGSIJUNMAAIRB-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O=C(C1CCCCC1)N2CCN(CC2)[S](=O)(=O)c3cccc4cnccc34
SMILESCACTVS3.385O=C(C1CCCCC1)N2CCN(CC2)[S](=O)(=O)c3cccc4cnccc34
SMILES_CANONICALOpenEye OEToolkits2.0.4c1cc2cnccc2c(c1)S(=O)(=O)N3CCN(CC3)C(=O)C4CCCCC4
SMILESOpenEye OEToolkits2.0.4c1cc2cnccc2c(c1)S(=O)(=O)N3CCN(CC3)C(=O)C4CCCCC4

223532

數據於2024-08-07公開中

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