Loading
PDBj
English日本語简体中文繁體中文한국어
✖
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help
SummaryGeometryRelated PDB entries

A1B8J

Summary
Name:N-(2,3-dihydro-1H-isoindol-5-yl)-7-fluoro-1H-indole-5-carboxamide
Formula:C17 H14 F N3 O
Formal charge:0
Formula weight:295.311 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52N-(2,3-dihydro-1H-isoindol-5-yl)-7-fluoro-1H-indole-5-carboxamide
OpenEye OEToolkits3.1.0.0~{N}-(2,3-dihydro-1~{H}-isoindol-5-yl)-7-fluoranyl-1~{H}-indole-5-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52Fc1cc(cc2cc[NH]c21)C(=O)Nc1ccc2CNCc2c1
InChIInChI1.06InChI=1S/C17H14FN3O/c18-15-7-12(5-10-3-4-20-16(10)15)17(22)21-14-2-1-11-8-19-9-13(11)6-14/h1-7,19-20H,8-9H2,(H,21,22)
InChIKeyInChI1.06CFIZJVCNXZYYGZ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Fc1cc(cc2cc[nH]c12)C(=O)Nc3ccc4CNCc4c3
SMILESCACTVS3.385Fc1cc(cc2cc[nH]c12)C(=O)Nc3ccc4CNCc4c3
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1cc2c(cc1NC(=O)c3cc4cc[nH]c4c(c3)F)CNC2
SMILESOpenEye OEToolkits3.1.0.0c1cc2c(cc1NC(=O)c3cc4cc[nH]c4c(c3)F)CNC2

250835

PDB entries from 2026-03-18

PDB statisticsPDBj update infoContact PDBjnumon