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OU6

Summary
Name:N~2~-(2-cyano-5-methyl-1H-indole-7-sulfonyl)-N~2~-methyl-N-[4-(oxetan-3-yl)-3,4-dihydro-2H-1,4-benzoxazin-7-yl]glycinamide
Formula:C24 H25 N5 O5 S
Formal charge:0
Formula weight:495.551 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N~2~-(2-cyano-5-methyl-1H-indole-7-sulfonyl)-N~2~-methyl-N-[4-(oxetan-3-yl)-3,4-dihydro-2H-1,4-benzoxazin-7-yl]glycinamide
OpenEye OEToolkits2.0.72-[(2-cyano-5-methyl-1~{H}-indol-7-yl)sulfonyl-methyl-amino]-~{N}-[4-(oxetan-3-yl)-2,3-dihydro-1,4-benzoxazin-7-yl]ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Cc1cc(c2[NH]c(C#N)cc2c1)S(=O)(=O)N(C)CC(=O)Nc1cc2OCCN(C3COC3)c2cc1
InChIInChI1.03InChI=1S/C24H25N5O5S/c1-15-7-16-9-18(11-25)27-24(16)22(8-15)35(31,32)28(2)12-23(30)26-17-3-4-20-21(10-17)34-6-5-29(20)19-13-33-14-19/h3-4,7-10,19,27H,5-6,12-14H2,1-2H3,(H,26,30)
InChIKeyInChI1.03LICCSNABLLQTEJ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(CC(=O)Nc1ccc2N(CCOc2c1)C3COC3)[S](=O)(=O)c4cc(C)cc5cc([nH]c45)C#N
SMILESCACTVS3.385CN(CC(=O)Nc1ccc2N(CCOc2c1)C3COC3)[S](=O)(=O)c4cc(C)cc5cc([nH]c45)C#N
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1cc2cc([nH]c2c(c1)S(=O)(=O)N(C)CC(=O)Nc3ccc4c(c3)OCCN4C5COC5)C#N
SMILESOpenEye OEToolkits2.0.7Cc1cc2cc([nH]c2c(c1)S(=O)(=O)N(C)CC(=O)Nc3ccc4c(c3)OCCN4C5COC5)C#N

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PDB entries from 2026-01-28

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