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KRL

Summary
Name:5-cyano-N-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]furan-2-carboxamide
Formula:C22 H27 N5 O2
Formal charge:0
Formula weight:393.482 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits1.6.15-cyano-N-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-yl-phenyl]furan-2-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILES_CANONICALCACTVS3.352CN1CCN(CC1)c2ccc(NC(=O)c3oc(cc3)C#N)c(c2)N4CCCCC4
SMILESCACTVS3.352CN1CCN(CC1)c2ccc(NC(=O)c3oc(cc3)C#N)c(c2)N4CCCCC4
SMILES_CANONICALOpenEye OEToolkits1.7.0CN1CCN(CC1)c2ccc(c(c2)N3CCCCC3)NC(=O)c4ccc(o4)C#N
SMILESOpenEye OEToolkits1.7.0CN1CCN(CC1)c2ccc(c(c2)N3CCCCC3)NC(=O)c4ccc(o4)C#N
InChIInChI1.03InChI=1S/C22H27N5O2/c1-25-11-13-26(14-12-25)17-5-7-19(20(15-17)27-9-3-2-4-10-27)24-22(28)21-8-6-18(16-23)29-21/h5-8,15H,2-4,9-14H2,1H3,(H,24,28)
InChIKeyInChI1.03UUPPIQKPNBIUKY-UHFFFAOYSA-N

226707

數據於2024-10-30公開中

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