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A1JGO

Summary
Name:1-(benzimidazol-1-yl)-3-[(4~{S})-6-fluoranyl-3,4-dihydro-2~{H}-thiochromen-4-yl]urea
Formula:C17 H15 F N4 O S
Formal charge:0
Formula weight:342.391 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.71-(benzimidazol-1-yl)-3-[(4~{S})-6-fluoranyl-3,4-dihydro-2~{H}-thiochromen-4-yl]urea

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C17H15FN4OS/c18-11-5-6-16-12(9-11)13(7-8-24-16)20-17(23)21-22-10-19-14-3-1-2-4-15(14)22/h1-6,9-10,13H,7-8H2,(H2,20,21,23)/t13-/m0/s1
InChIKeyInChI1.06UYXIALZFEONGAS-ZDUSSCGKSA-N
SMILES_CANONICALCACTVS3.385Fc1ccc2SCC[C@H](NC(=O)Nn3cnc4ccccc34)c2c1
SMILESCACTVS3.385Fc1ccc2SCC[CH](NC(=O)Nn3cnc4ccccc34)c2c1
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc2c(c1)ncn2NC(=O)N[C@H]3CCSc4c3cc(cc4)F
SMILESOpenEye OEToolkits2.0.7c1ccc2c(c1)ncn2NC(=O)NC3CCSc4c3cc(cc4)F

251174

PDB entries from 2026-03-25

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