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

EM0

概要
表記:4-fluoro-3-methyl-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzene-1-sulfonamide
組成式:C16 H16 F N3 O3 S
電荷:0
化学式量:349.38 Da
分子種別:non-polymer

化合物名

プログラムバージョン表記
ACDLabs12.014-fluoro-3-methyl-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzene-1-sulfonamide
OpenEye OEToolkits2.0.74-fluoranyl-3-methyl-~{N}-(3-methyl-2-oxidanylidene-1,4-dihydroquinazolin-6-yl)benzenesulfonamide

化合物記述子(線形表記)

種別プログラムバージョン表記
SMILESACDLabs12.01Cc1cc(ccc1F)S(=O)(=O)Nc1ccc2NC(=O)N(C)Cc2c1
InChIInChI1.03InChI=1S/C16H16FN3O3S/c1-10-7-13(4-5-14(10)17)24(22,23)19-12-3-6-15-11(8-12)9-20(2)16(21)18-15/h3-8,19H,9H2,1-2H3,(H,18,21)
InChIKeyInChI1.03UQXHNDHWFYISEE-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN1Cc2cc(N[S](=O)(=O)c3ccc(F)c(C)c3)ccc2NC1=O
SMILESCACTVS3.385CN1Cc2cc(N[S](=O)(=O)c3ccc(F)c(C)c3)ccc2NC1=O
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1cc(ccc1F)S(=O)(=O)Nc2ccc3c(c2)CN(C(=O)N3)C
SMILESOpenEye OEToolkits2.0.7Cc1cc(ccc1F)S(=O)(=O)Nc2ccc3c(c2)CN(C(=O)N3)C

222415

件を2024-07-10に公開中

PDB statisticsPDBj update infoContact PDBjnumon