Loading
PDBj
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help

A1BJW

Summary
Name:3-{2-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]ethyl}-1,3-oxazolidin-2-one
Formula:C15 H14 F N5 O2
Formal charge:0
Formula weight:315.302 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.523-{2-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]ethyl}-1,3-oxazolidin-2-one
OpenEye OEToolkits3.1.0.03-[2-[(7-fluoranyl-9~{H}-pyrimido[4,5-b]indol-4-yl)amino]ethyl]-1,3-oxazolidin-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52Fc1ccc2c3c(NCCN4CCOC4=O)ncnc3[NH]c2c1
InChIInChI1.06InChI=1S/C15H14FN5O2/c16-9-1-2-10-11(7-9)20-14-12(10)13(18-8-19-14)17-3-4-21-5-6-23-15(21)22/h1-2,7-8H,3-6H2,(H2,17,18,19,20)
InChIKeyInChI1.06SBYDWOLNFDGUSQ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Fc1ccc2c([nH]c3ncnc(NCCN4CCOC4=O)c23)c1
SMILESCACTVS3.385Fc1ccc2c([nH]c3ncnc(NCCN4CCOC4=O)c23)c1
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1cc2c(cc1F)[nH]c3c2c(ncn3)NCCN4CCOC4=O
SMILESOpenEye OEToolkits3.1.0.0c1cc2c(cc1F)[nH]c3c2c(ncn3)NCCN4CCOC4=O

248636

PDB entries from 2026-02-04

PDB statisticsPDBj update infoContact PDBjnumon