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1PF

概要
表記:4-(cyclohexylmethoxy)-3-{4-[(1-methylpiperidin-4-yl)oxy]phenyl}-2H-indazole
組成式:C26 H33 N3 O2
電荷:0
化学式量:419.559 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-(cyclohexylmethoxy)-3-{4-[(1-methylpiperidin-4-yl)oxy]phenyl}-2H-indazole
OpenEye OEToolkits1.7.64-(cyclohexylmethoxy)-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2H-indazole

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(c4ccc(c2c3c(OCC1CCCCC1)cccc3nn2)cc4)C5CCN(C)CC5
InChIInChI1.03InChI=1S/C26H33N3O2/c1-29-16-14-22(15-17-29)31-21-12-10-20(11-13-21)26-25-23(27-28-26)8-5-9-24(25)30-18-19-6-3-2-4-7-19/h5,8-13,19,22H,2-4,6-7,14-18H2,1H3,(H,27,28)
InChIKeyInChI1.03ZXTGHNQQRVHEIZ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370CN1CCC(CC1)Oc2ccc(cc2)c3[nH]nc4cccc(OCC5CCCCC5)c34
SMILESCACTVS3.370CN1CCC(CC1)Oc2ccc(cc2)c3[nH]nc4cccc(OCC5CCCCC5)c34
SMILES_CANONICALOpenEye OEToolkits1.7.6CN1CCC(CC1)Oc2ccc(cc2)c3c4c(cccc4OCC5CCCCC5)n[nH]3
SMILESOpenEye OEToolkits1.7.6CN1CCC(CC1)Oc2ccc(cc2)c3c4c(cccc4OCC5CCCCC5)n[nH]3

225946

件を2024-10-09に公開中

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