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A1ES7

Summary
Name:~{N}-[2-fluoranyl-5-[8-fluoranyl-4-[(3-hydroxyphenyl)amino]quinazolin-6-yl]pyridin-3-yl]benzenesulfonamide
Formula:C25 H17 F2 N5 O3 S
Formal charge:0
Formula weight:505.496 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}-[2-fluoranyl-5-[8-fluoranyl-4-[(3-hydroxyphenyl)amino]quinazolin-6-yl]pyridin-3-yl]benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C25H17F2N5O3S/c26-21-10-15(9-20-23(21)29-14-30-25(20)31-17-5-4-6-18(33)12-17)16-11-22(24(27)28-13-16)32-36(34,35)19-7-2-1-3-8-19/h1-14,32-33H,(H,29,30,31)
InChIKeyInChI1.06CWWGYOCZFHIVPJ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Oc1cccc(Nc2ncnc3c(F)cc(cc23)c4cnc(F)c(N[S](=O)(=O)c5ccccc5)c4)c1
SMILESCACTVS3.385Oc1cccc(Nc2ncnc3c(F)cc(cc23)c4cnc(F)c(N[S](=O)(=O)c5ccccc5)c4)c1
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)S(=O)(=O)Nc2cc(cnc2F)c3cc4c(c(c3)F)ncnc4Nc5cccc(c5)O
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)S(=O)(=O)Nc2cc(cnc2F)c3cc4c(c(c3)F)ncnc4Nc5cccc(c5)O

257179

PDB entries from 2026-07-29

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