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E46

概要
表記:N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethyloxy)phenyl]-[1,2,3]triazolo[4,5-b]pyridin-5-amine
組成式:C18 H19 F3 N6 O
電荷:0
化学式量:392.378 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-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
OpenEye OEToolkits1.9.2N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethyloxy)phenyl]-[1,2,3]triazolo[4,5-b]pyridin-5-amine

化合物記述子(線形表記)

種別プログラムバージョン表記
SMILESACDLabs12.01FC(F)(F)Oc1cccc(c1)n3nnc2ccc(nc23)NCC4CCNCC4
InChIInChI1.03InChI=1S/C18H19F3N6O/c19-18(20,21)28-14-3-1-2-13(10-14)27-17-15(25-26-27)4-5-16(24-17)23-11-12-6-8-22-9-7-12/h1-5,10,12,22H,6-9,11H2,(H,23,24)
InChIKeyInChI1.03OZAALIWIRMBCOR-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385FC(F)(F)Oc1cccc(c1)n2nnc3ccc(NCC4CCNCC4)nc23
SMILESCACTVS3.385FC(F)(F)Oc1cccc(c1)n2nnc3ccc(NCC4CCNCC4)nc23
SMILES_CANONICALOpenEye OEToolkits1.9.2c1cc(cc(c1)OC(F)(F)F)n2c3c(ccc(n3)NCC4CCNCC4)nn2
SMILESOpenEye OEToolkits1.9.2c1cc(cc(c1)OC(F)(F)F)n2c3c(ccc(n3)NCC4CCNCC4)nn2

223790

件を2024-08-14に公開中

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