Loading
PDBj
English日本語简体中文繁體中文한국어
✖
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
SummaryGeometryRelated PDB entries

IZX

Summary
Name:1-{4-[(R)-phenyl(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-1-benzothiophen-2-yl}methanediamine
Formula:C24 H20 N4 O2 S
Formal charge:0
Formula weight:428.506 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits1.6.1[4-[(R)-phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-1-benzothiophen-2-yl]methanediamine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILES_CANONICALCACTVS3.352NC(N)c1sc2cccc(O[C@@H](c3onc(n3)c4ccccc4)c5ccccc5)c2c1
SMILESCACTVS3.352NC(N)c1sc2cccc(O[CH](c3onc(n3)c4ccccc4)c5ccccc5)c2c1
SMILES_CANONICALOpenEye OEToolkits1.7.0c1ccc(cc1)c2nc(on2)[C@@H](c3ccccc3)Oc4cccc5c4cc(s5)C(N)N
SMILESOpenEye OEToolkits1.7.0c1ccc(cc1)c2nc(on2)C(c3ccccc3)Oc4cccc5c4cc(s5)C(N)N
InChIInChI1.03InChI=1S/C24H20N4O2S/c25-22(26)20-14-17-18(12-7-13-19(17)31-20)29-21(15-8-3-1-4-9-15)24-27-23(28-30-24)16-10-5-2-6-11-16/h1-14,21-22H,25-26H2/t21-/m1/s1
InChIKeyInChI1.03VBSNODZWDZSFEZ-OAQYLSRUSA-N

219515

PDB entries from 2024-05-08

PDB statisticsPDBj update infoContact PDBjnumon