Loading
PDBj
English日本語简体中文繁體中文한국어
✖
ﾒﾆｭｰPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
概要配置情報関連するPDBエントリー

28F

概要
表記:1-ethyl-3-{6-(pyrimidin-5-yl)-5-[(3R)-tetrahydrofuran-3-ylmethoxy][1,3]thiazolo[5,4-b]pyridin-2-yl}urea
組成式:C18 H20 N6 O3 S
電荷:0
化学式量:400.455 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
ACDLabs12.011-ethyl-3-{6-(pyrimidin-5-yl)-5-[(3R)-tetrahydrofuran-3-ylmethoxy][1,3]thiazolo[5,4-b]pyridin-2-yl}urea
OpenEye OEToolkits1.7.61-ethyl-3-[5-[[(3R)-oxolan-3-yl]methoxy]-6-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea

化合物記述子（線形表記）

種別プログラムバージョン表記
SMILESACDLabs12.01O=C(NCC)Nc1nc2cc(c(nc2s1)OCC3CCOC3)c4cncnc4
InChIInChI1.03InChI=1S/C18H20N6O3S/c1-2-21-17(25)24-18-22-14-5-13(12-6-19-10-20-7-12)15(23-16(14)28-18)27-9-11-3-4-26-8-11/h5-7,10-11H,2-4,8-9H2,1H3,(H2,21,22,24,25)/t11-/m1/s1
InChIKeyInChI1.03GVEJQEIIQCQRCC-LLVKDONJSA-N
SMILES_CANONICALCACTVS3.385CCNC(=O)Nc1sc2nc(OC[C@@H]3CCOC3)c(cc2n1)c4cncnc4
SMILESCACTVS3.385CCNC(=O)Nc1sc2nc(OC[CH]3CCOC3)c(cc2n1)c4cncnc4
SMILES_CANONICALOpenEye OEToolkits1.7.6CCNC(=O)Nc1nc2cc(c(nc2s1)OC[C@@H]3CCOC3)c4cncnc4
SMILESOpenEye OEToolkits1.7.6CCNC(=O)Nc1nc2cc(c(nc2s1)OCC3CCOC3)c4cncnc4

223532

件を2024-08-07に公開中

PDB statisticsPDBj update infoContact PDBjnumon