Loading
PDBj
メニューPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

2QF

概要
表記:N-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}indolizine-7-carboxamide
組成式:C22 H16 F2 N2 O3 S
電荷:0
化学式量:426.436 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
ACDLabs12.01N-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}indolizine-7-carboxamide
OpenEye OEToolkits1.7.6N-[[4-[3,5-bis(fluoranyl)phenyl]sulfonylphenyl]methyl]indolizine-7-carboxamide

化合物記述子(線形表記)

種別プログラムバージョン表記
SMILESACDLabs12.01Fc1cc(cc(F)c1)S(=O)(=O)c2ccc(cc2)CNC(=O)c4cc3cccn3cc4
InChIInChI1.03InChI=1S/C22H16F2N2O3S/c23-17-11-18(24)13-21(12-17)30(28,29)20-5-3-15(4-6-20)14-25-22(27)16-7-9-26-8-1-2-19(26)10-16/h1-13H,14H2,(H,25,27)
InChIKeyInChI1.03XVCMNEXVVACQMR-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Fc1cc(F)cc(c1)[S](=O)(=O)c2ccc(CNC(=O)c3ccn4cccc4c3)cc2
SMILESCACTVS3.385Fc1cc(F)cc(c1)[S](=O)(=O)c2ccc(CNC(=O)c3ccn4cccc4c3)cc2
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cc2cc(ccn2c1)C(=O)NCc3ccc(cc3)S(=O)(=O)c4cc(cc(c4)F)F
SMILESOpenEye OEToolkits1.7.6c1cc2cc(ccn2c1)C(=O)NCc3ccc(cc3)S(=O)(=O)c4cc(cc(c4)F)F

222415

件を2024-07-10に公開中

PDB statisticsPDBj update infoContact PDBjnumon