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09H

Summary
Name:2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(piperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
Formula:C22 H22 N4 O2 S
Formal charge:0
Formula weight:406.501 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(piperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
OpenEye OEToolkits1.7.22-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(c1nc(sc1)c3cc2c(OCC2)cc3)Nc5ccccc5N4CCNCC4
InChIInChI1.03InChI=1S/C22H22N4O2S/c27-21(24-17-3-1-2-4-19(17)26-10-8-23-9-11-26)18-14-29-22(25-18)16-5-6-20-15(13-16)7-12-28-20/h1-6,13-14,23H,7-12H2,(H,24,27)
InChIKeyInChI1.03WRGSHXQBWJUKQD-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370O=C(Nc1ccccc1N2CCNCC2)c3csc(n3)c4ccc5OCCc5c4
SMILESCACTVS3.370O=C(Nc1ccccc1N2CCNCC2)c3csc(n3)c4ccc5OCCc5c4
SMILES_CANONICALOpenEye OEToolkits1.7.2c1ccc(c(c1)NC(=O)c2csc(n2)c3ccc4c(c3)CCO4)N5CCNCC5
SMILESOpenEye OEToolkits1.7.2c1ccc(c(c1)NC(=O)c2csc(n2)c3ccc4c(c3)CCO4)N5CCNCC5

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PDB entries from 2024-09-11

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