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

O3F

Summary
Name:2-chloranyl-~{N}-[[7-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonyl-7-azaspiro[3.5]nonan-2-yl]methyl]ethanamide
Formula:C23 H31 Cl2 N3 O3
Formal charge:0
Formula weight:468.417 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits3.1.0.02-chloranyl-~{N}-[[7-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonyl-7-azaspiro[3.5]nonan-2-yl]methyl]ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C23H31Cl2N3O3/c24-15-20(29)26-16-17-13-22(14-17)5-9-28(10-6-22)21(30)23(7-11-31-12-8-23)27-19-3-1-18(25)2-4-19/h1-4,17,27H,5-16H2,(H,26,29)
InChIKeyInChI1.06FBJDOMAUJAZZCZ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385ClCC(=O)NCC1CC2(CCN(CC2)C(=O)C3(CCOCC3)Nc4ccc(Cl)cc4)C1
SMILESCACTVS3.385ClCC(=O)NCC1CC2(CCN(CC2)C(=O)C3(CCOCC3)Nc4ccc(Cl)cc4)C1
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1cc(ccc1NC2(CCOCC2)C(=O)N3CCC4(CC3)CC(C4)CNC(=O)CCl)Cl
SMILESOpenEye OEToolkits3.1.0.0c1cc(ccc1NC2(CCOCC2)C(=O)N3CCC4(CC3)CC(C4)CNC(=O)CCl)Cl

222415

PDB entries from 2024-07-10

PDB statisticsPDBj update infoContact PDBjnumon