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OWO

概要
表記:7-[2-fluoranyl-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1~{H}-imidazo[4,5-b]pyridine
組成式:C18 H16 F N5
電荷:0
化学式量:321.352 Da
分子種別:non-polymer

化合物名

プログラムバージョン表記
OpenEye OEToolkits2.0.77-[2-fluoranyl-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1~{H}-imidazo[4,5-b]pyridine

化合物記述子(線形表記)

種別プログラムバージョン表記
InChIInChI1.06InChI=1S/C18H16FN5/c1-10-15(11(2)24(3)23-10)14-6-4-5-12(16(14)19)13-7-8-20-18-17(13)21-9-22-18/h4-9H,1-3H3,(H,20,21,22)
InChIKeyInChI1.06RPWDTXPUVLCSDW-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cn1nc(C)c(c1C)c2cccc(c2F)c3ccnc4nc[nH]c34
SMILESCACTVS3.385Cn1nc(C)c(c1C)c2cccc(c2F)c3ccnc4nc[nH]c34
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1c(c(n(n1)C)C)c2cccc(c2F)c3ccnc4c3[nH]cn4
SMILESOpenEye OEToolkits2.0.7Cc1c(c(n(n1)C)C)c2cccc(c2F)c3ccnc4c3[nH]cn4

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件を2024-08-07に公開中

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