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V4Q

Summary
Name:N-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide
Synonyms:146282356
Formula:C28 H24 F N7 O2
Formal charge:0
Formula weight:509.534 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C28H24FN7O2/c1-2-38-19-10-11-23(32-16-19)27-35-34-26(36(27)24-9-4-3-7-21(24)29)17-14-18(15-17)33-28(37)20-6-5-8-22-25(20)31-13-12-30-22/h3-13,16-18H,2,14-15H2,1H3,(H,33,37)/t17-,18-
InChIKeyInChI1.03ARCOJIXZDJYBCH-IYARVYRRSA-N
SMILES_CANONICALCACTVS3.385CCOc1ccc(nc1)c2nnc([C@@H]3C[C@H](C3)NC(=O)c4cccc5nccnc45)n2c6ccccc6F
SMILESCACTVS3.385CCOc1ccc(nc1)c2nnc([CH]3C[CH](C3)NC(=O)c4cccc5nccnc45)n2c6ccccc6F
SMILES_CANONICALOpenEye OEToolkits2.0.7CCOc1ccc(nc1)c2nnc(n2c3ccccc3F)C4CC(C4)NC(=O)c5cccc6c5nccn6
SMILESOpenEye OEToolkits2.0.7CCOc1ccc(nc1)c2nnc(n2c3ccccc3F)C4CC(C4)NC(=O)c5cccc6c5nccn6

222415

PDB entries from 2024-07-10

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