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NCK

概要
表記:3,6-Bis[3-(4-methylpiperidino)propionamido]acridine
別名:N,N'-acridine-3,6-diylbis[3-(4-methylpiperidin-1-yl)propanamide]
組成式:C31 H41 N5 O2
電荷:0
化学式量:515.69 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
ACDLabs10.04N,N'-acridine-3,6-diylbis[3-(4-methylpiperidin-1-yl)propanamide]
OpenEye OEToolkits1.5.03-(4-methylpiperidin-1-yl)-N-[6-[3-(4-methylpiperidin-1-yl)propanoylamino]acridin-3-yl]propanamide

化合物記述子(線形表記)

種別プログラムバージョン表記
SMILESACDLabs10.04O=C(Nc3cc2nc1cc(ccc1cc2cc3)NC(=O)CCN4CCC(CC4)C)CCN5CCC(C)CC5
SMILES_CANONICALCACTVS3.341CC1CCN(CC1)CCC(=O)Nc2ccc3cc4ccc(NC(=O)CCN5CCC(C)CC5)cc4nc3c2
SMILESCACTVS3.341CC1CCN(CC1)CCC(=O)Nc2ccc3cc4ccc(NC(=O)CCN5CCC(C)CC5)cc4nc3c2
SMILES_CANONICALOpenEye OEToolkits1.5.0CC1CCN(CC1)CCC(=O)Nc2ccc3cc4ccc(cc4nc3c2)NC(=O)CCN5CCC(CC5)C
SMILESOpenEye OEToolkits1.5.0CC1CCN(CC1)CCC(=O)Nc2ccc3cc4ccc(cc4nc3c2)NC(=O)CCN5CCC(CC5)C
InChIInChI1.03InChI=1S/C31H41N5O2/c1-22-7-13-35(14-8-22)17-11-30(37)32-26-5-3-24-19-25-4-6-27(21-29(25)34-28(24)20-26)33-31(38)12-18-36-15-9-23(2)10-16-36/h3-6,19-23H,7-18H2,1-2H3,(H,32,37)(H,33,38)
InChIKeyInChI1.03BQDBDQOPOGFTHF-UHFFFAOYSA-N

222415

件を2024-07-10に公開中

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