Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

3EI

Summary
Name:4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]phenol
Formula:C16 H12 N4 O S
Formal charge:0
Formula weight:308.358 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.74-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]phenol

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C16H12N4OS/c21-12-6-4-11(5-7-12)18-16-19-13(10-22-16)14-9-17-15-3-1-2-8-20(14)15/h1-10,21H,(H,18,19)
InChIKeyInChI1.03NAJHZKDVMWYLOU-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Oc1ccc(Nc2scc(n2)c3cnc4ccccn34)cc1
SMILESCACTVS3.385Oc1ccc(Nc2scc(n2)c3cnc4ccccn34)cc1
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccn2c(c1)ncc2c3csc(n3)Nc4ccc(cc4)O
SMILESOpenEye OEToolkits2.0.7c1ccn2c(c1)ncc2c3csc(n3)Nc4ccc(cc4)O

222415

数据于2024-07-10公开中

PDB statisticsPDBj update infoContact PDBjnumon