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FJ0

概要
表記:2-(2-methylpyridin-4-yl)-N-[2-morpholin-4-yl-5-[(3R)-3-oxidanylpyrrolidin-1-yl]-[1,3]oxazolo[4,5-b]pyridin-6-yl]-1,3-oxazole-4-carboxamide
組成式:C24 H25 N7 O5
電荷:0
化学式量:491.499 Da
分子種別:non-polymer

化合物名

プログラムバージョン表記
OpenEye OEToolkits2.0.72-(2-methylpyridin-4-yl)-~{N}-[2-morpholin-4-yl-5-[(3~{R})-3-oxidanylpyrrolidin-1-yl]-[1,3]oxazolo[4,5-b]pyridin-6-yl]-1,3-oxazole-4-carboxamide

化合物記述子(線形表記)

種別プログラムバージョン表記
InChIInChI1.03InChI=1S/C24H25N7O5/c1-14-10-15(2-4-25-14)23-27-18(13-35-23)22(33)26-17-11-19-20(28-21(17)31-5-3-16(32)12-31)29-24(36-19)30-6-8-34-9-7-30/h2,4,10-11,13,16,32H,3,5-9,12H2,1H3,(H,26,33)/t16-/m1/s1
InChIKeyInChI1.03SJHNWSAWWOAWJH-MRXNPFEDSA-N
SMILES_CANONICALCACTVS3.385Cc1cc(ccn1)c2occ(n2)C(=O)Nc3cc4oc(nc4nc3N5CC[C@@H](O)C5)N6CCOCC6
SMILESCACTVS3.385Cc1cc(ccn1)c2occ(n2)C(=O)Nc3cc4oc(nc4nc3N5CC[CH](O)C5)N6CCOCC6
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1cc(ccn1)c2nc(co2)C(=O)Nc3cc4c(nc3N5CC[C@H](C5)O)nc(o4)N6CCOCC6
SMILESOpenEye OEToolkits2.0.7Cc1cc(ccn1)c2nc(co2)C(=O)Nc3cc4c(nc3N5CCC(C5)O)nc(o4)N6CCOCC6

217705

件を2024-03-27に公開中

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