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EKL

Summary
Name:6-cyclobutyloxy-9-ethyl-~{N}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide
Formula:C28 H30 N2 O4 S
Formal charge:0
Formula weight:490.614 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.76-cyclobutyloxy-9-ethyl-~{N}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C28H30N2O4S/c1-3-30-26-14-10-20(28(31)29-18-19-8-12-23(13-9-19)35(32,33)4-2)16-24(26)25-17-22(11-15-27(25)30)34-21-6-5-7-21/h8-17,21H,3-7,18H2,1-2H3,(H,29,31)
InChIKeyInChI1.03LWRIAGPHTVDVJI-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCn1c2ccc(OC3CCC3)cc2c4cc(ccc14)C(=O)NCc5ccc(cc5)[S](=O)(=O)CC
SMILESCACTVS3.385CCn1c2ccc(OC3CCC3)cc2c4cc(ccc14)C(=O)NCc5ccc(cc5)[S](=O)(=O)CC
SMILES_CANONICALOpenEye OEToolkits2.0.7CCn1c2ccc(cc2c3c1ccc(c3)OC4CCC4)C(=O)NCc5ccc(cc5)S(=O)(=O)CC
SMILESOpenEye OEToolkits2.0.7CCn1c2ccc(cc2c3c1ccc(c3)OC4CCC4)C(=O)NCc5ccc(cc5)S(=O)(=O)CC

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PDB entries from 2024-07-17

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