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2WE

Summary
Name:2-[2-(cyclopropylcarbonylamino)pyridin-4-yl]-4-methoxy-1,3-thiazole-5-carboxamide
Formula:C14 H14 N4 O3 S
Formal charge:0
Formula weight:318.351 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72-[2-(cyclopropylcarbonylamino)pyridin-4-yl]-4-methoxy-1,3-thiazole-5-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C14H14N4O3S/c1-21-13-10(11(15)19)22-14(18-13)8-4-5-16-9(6-8)17-12(20)7-2-3-7/h4-7H,2-3H2,1H3,(H2,15,19)(H,16,17,20)
InChIKeyInChI1.03CYADPSMQNARVII-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1nc(sc1C(N)=O)c2ccnc(NC(=O)C3CC3)c2
SMILESCACTVS3.385COc1nc(sc1C(N)=O)c2ccnc(NC(=O)C3CC3)c2
SMILES_CANONICALOpenEye OEToolkits2.0.7COc1c(sc(n1)c2ccnc(c2)NC(=O)C3CC3)C(=O)N
SMILESOpenEye OEToolkits2.0.7COc1c(sc(n1)c2ccnc(c2)NC(=O)C3CC3)C(=O)N

221371

PDB entries from 2024-06-19

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