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G6W

Summary
Name:2-azanyl-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]-2-methyl-propanamide
Formula:C14 H17 N5 O2 S
Formal charge:0
Formula weight:319.382 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.62-azanyl-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]-2-methyl-propanamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C14H17N5O2S/c1-7(20)10-11(8-4-9(15)6-17-5-8)22-13(18-10)19-12(21)14(2,3)16/h4-6H,15-16H2,1-3H3,(H,18,19,21)
InChIKeyInChI1.03FSRJGJACTVPIED-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(=O)c1nc(NC(=O)C(C)(C)N)sc1c2cncc(N)c2
SMILESCACTVS3.385CC(=O)c1nc(NC(=O)C(C)(C)N)sc1c2cncc(N)c2
SMILES_CANONICALOpenEye OEToolkits2.0.6CC(=O)c1c(sc(n1)NC(=O)C(C)(C)N)c2cc(cnc2)N
SMILESOpenEye OEToolkits2.0.6CC(=O)c1c(sc(n1)NC(=O)C(C)(C)N)c2cc(cnc2)N

218853

PDB entries from 2024-04-24

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