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SummaryGeometryRelated PDB entries

DZ9

Summary
Name:3-amino-N-(3-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
Formula:C18 H12 F N3 O S2
Formal charge:0
Formula weight:369.436 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.043-amino-N-(3-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
OpenEye OEToolkits1.5.03-amino-N-(3-fluorophenyl)-6-thiophen-2-yl-thieno[5,4-b]pyridine-2-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Fc1cccc(c1)NC(=O)c3sc2nc(ccc2c3N)c4sccc4
SMILES_CANONICALCACTVS3.341Nc1c(sc2nc(ccc12)c3sccc3)C(=O)Nc4cccc(F)c4
SMILESCACTVS3.341Nc1c(sc2nc(ccc12)c3sccc3)C(=O)Nc4cccc(F)c4
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(cc(c1)F)NC(=O)c2c(c3ccc(nc3s2)c4cccs4)N
SMILESOpenEye OEToolkits1.5.0c1cc(cc(c1)F)NC(=O)c2c(c3ccc(nc3s2)c4cccs4)N
InChIInChI1.03InChI=1S/C18H12FN3OS2/c19-10-3-1-4-11(9-10)21-17(23)16-15(20)12-6-7-13(22-18(12)25-16)14-5-2-8-24-14/h1-9H,20H2,(H,21,23)
InChIKeyInChI1.03UCTSEHMMSSIODN-UHFFFAOYSA-N

222415

건을2024-07-10부터공개중

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