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

2FF

Summary
Name:(5-(aminomethyl)-2H-spiro[benzofuran-3,4'-piperidine]-1'-yl)(5-(phenylethynyl)furan-2-yl)methanone
Formula:C26 H24 N2 O3
Formal charge:0
Formula weight:412.48 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.041-(1'-{[5-(phenylethynyl)furan-2-yl]carbonyl}spiro[1-benzofuran-3,4'-piperidin]-5-yl)methanamine
OpenEye OEToolkits1.5.0[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[5-(2-phenylethynyl)furan-2-yl]methanone

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(N3CCC1(c2c(OC1)ccc(c2)CN)CC3)c5oc(C#Cc4ccccc4)cc5
SMILES_CANONICALCACTVS3.341NCc1ccc2OCC3(CCN(CC3)C(=O)c4oc(cc4)C#Cc5ccccc5)c2c1
SMILESCACTVS3.341NCc1ccc2OCC3(CCN(CC3)C(=O)c4oc(cc4)C#Cc5ccccc5)c2c1
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(cc1)C#Cc2ccc(o2)C(=O)N3CCC4(CC3)COc5c4cc(cc5)CN
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)C#Cc2ccc(o2)C(=O)N3CCC4(CC3)COc5c4cc(cc5)CN
InChIInChI1.03InChI=1S/C26H24N2O3/c27-17-20-7-10-23-22(16-20)26(18-30-23)12-14-28(15-13-26)25(29)24-11-9-21(31-24)8-6-19-4-2-1-3-5-19/h1-5,7,9-11,16H,12-15,17-18,27H2
InChIKeyInChI1.03YKTUSHSSKIWDRY-UHFFFAOYSA-N

221716

PDB entries from 2024-06-26

PDB statisticsPDBj update infoContact PDBjnumon