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VYI

Summary
Name:N-(2-FLUOROPHENYL)-4-[(4-FLUOROPHENYL)SULFONYL]-2,3,4,5-TETRAHYDRO-1,4-BENZOXAZEPIN-6-AMINE
Formula:C21 H18 F2 N2 O3 S
Formal charge:0
Formula weight:416.441 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits1.7.6N-(2-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-3,5-dihydro-2H-1,4-benzoxazepin-6-amine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C21H18F2N2O3S/c22-15-8-10-16(11-9-15)29(26,27)25-12-13-28-21-7-3-6-19(17(21)14-25)24-20-5-2-1-4-18(20)23/h1-11,24H,12-14H2
InChIKeyInChI1.03HCJWPYDAKXNGHM-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Fc1ccc(cc1)[S](=O)(=O)N2CCOc3cccc(Nc4ccccc4F)c3C2
SMILESCACTVS3.385Fc1ccc(cc1)[S](=O)(=O)N2CCOc3cccc(Nc4ccccc4F)c3C2
SMILES_CANONICALOpenEye OEToolkits1.7.6c1ccc(c(c1)Nc2cccc3c2CN(CCO3)S(=O)(=O)c4ccc(cc4)F)F
SMILESOpenEye OEToolkits1.7.6c1ccc(c(c1)Nc2cccc3c2CN(CCO3)S(=O)(=O)c4ccc(cc4)F)F

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PDB entries from 2024-07-10

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