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NKJ

Summary
Name:(19S)-19-methyl-16,17,18,19-tetrahydro-8,4-(azeno)[1,2,4]triazolo[4,3-f][1,6,13]benzoxadiazacyclohexadecin-10(9H)-one
Formula:C19 H19 N5 O2
Formal charge:0
Formula weight:349.386 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(19S)-19-methyl-16,17,18,19-tetrahydro-8,4-(azeno)[1,2,4]triazolo[4,3-f][1,6,13]benzoxadiazacyclohexadecin-10(9H)-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c3cc4NC(=O)c1ccccc1OCCCC(C)n2c(nnc2)c(c3)n4
InChIInChI1.03InChI=1S/C19H19N5O2/c1-13-6-5-11-26-16-9-3-2-7-14(16)19(25)22-17-10-4-8-15(21-17)18-23-20-12-24(13)18/h2-4,7-10,12-13H,5-6,11H2,1H3,(H,21,22,25)/t13-/m0/s1
InChIKeyInChI1.03LZTAURWQYWWPLU-ZDUSSCGKSA-N
SMILES_CANONICALCACTVS3.385C[C@H]1CCCOc2ccccc2C(=O)Nc3cccc(n3)c4nncn14
SMILESCACTVS3.385C[CH]1CCCOc2ccccc2C(=O)Nc3cccc(n3)c4nncn14
SMILES_CANONICALOpenEye OEToolkits2.0.7C[C@H]1CCCOc2ccccc2C(=O)Nc3cccc(n3)-c4n1cnn4
SMILESOpenEye OEToolkits2.0.7CC1CCCOc2ccccc2C(=O)Nc3cccc(n3)-c4n1cnn4

218853

PDB entries from 2024-04-24

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