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X46

Summary
Name:[4-amino-2-(phenylamino)-1,3-thiazol-5-yl](3-methoxyphenyl)methanone
Formula:C17 H15 N3 O2 S
Formal charge:0
Formula weight:325.385 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01[4-amino-2-(phenylamino)-1,3-thiazol-5-yl](3-methoxyphenyl)methanone
OpenEye OEToolkits1.7.0(4-azanyl-2-phenylazanyl-1,3-thiazol-5-yl)-(3-methoxyphenyl)methanone

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(c1sc(nc1N)Nc2ccccc2)c3cccc(OC)c3
SMILES_CANONICALCACTVS3.370COc1cccc(c1)C(=O)c2sc(Nc3ccccc3)nc2N
SMILESCACTVS3.370COc1cccc(c1)C(=O)c2sc(Nc3ccccc3)nc2N
SMILES_CANONICALOpenEye OEToolkits1.7.0COc1cccc(c1)C(=O)c2c(nc(s2)Nc3ccccc3)N
SMILESOpenEye OEToolkits1.7.0COc1cccc(c1)C(=O)c2c(nc(s2)Nc3ccccc3)N
InChIInChI1.03InChI=1S/C17H15N3O2S/c1-22-13-9-5-6-11(10-13)14(21)15-16(18)20-17(23-15)19-12-7-3-2-4-8-12/h2-10H,18H2,1H3,(H,19,20)
InChIKeyInChI1.03LXKAYWZVBXYTGU-UHFFFAOYSA-N

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PDB entries from 2024-10-30

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