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8BN

Summary
Name:Tegoprazan
Formula:C20 H19 F2 N3 O3
Formal charge:0
Formula weight:387.38 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.77-[[(4~{S})-5,7-bis(fluoranyl)-3,4-dihydro-2~{H}-chromen-4-yl]oxy]-~{N},~{N},2-trimethyl-3~{H}-benzimidazole-5-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C20H19F2N3O3/c1-10-23-14-6-11(20(26)25(2)3)7-17(19(14)24-10)28-15-4-5-27-16-9-12(21)8-13(22)18(15)16/h6-9,15H,4-5H2,1-3H3,(H,23,24)/t15-/m0/s1
InChIKeyInChI1.03CLIQCDHNPDMGSL-HNNXBMFYSA-N
SMILES_CANONICALCACTVS3.385CN(C)C(=O)c1cc2[nH]c(C)nc2c(O[C@H]3CCOc4cc(F)cc(F)c34)c1
SMILESCACTVS3.385CN(C)C(=O)c1cc2[nH]c(C)nc2c(O[CH]3CCOc4cc(F)cc(F)c34)c1
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1[nH]c2cc(cc(c2n1)O[C@H]3CCOc4c3c(cc(c4)F)F)C(=O)N(C)C
SMILESOpenEye OEToolkits2.0.7Cc1[nH]c2cc(cc(c2n1)OC3CCOc4c3c(cc(c4)F)F)C(=O)N(C)C

218196

PDB entries from 2024-04-10

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