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5CZ

概要
表記:2-[4-(4-carbamimidoylphenoxy)phenyl]-1H-indole-6-carboximidamide
組成式:C22 H19 N5 O
電荷:0
化学式量:369.419 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
ACDLabs12.012-[4-(4-carbamimidoylphenoxy)phenyl]-1H-indole-6-carboximidamide
OpenEye OEToolkits1.9.22-[4-(4-carbamimidoylphenoxy)phenyl]-1H-indole-6-carboximidamide

化合物記述子(線形表記)

種別プログラムバージョン表記
SMILESACDLabs12.01c1(ccc(cc1)Oc2ccc(cc2)C(=[N@H])N)c3cc4c(n3)cc(cc4)/C(N)=N
InChIInChI1.03InChI=1S/C22H19N5O/c23-21(24)14-5-9-18(10-6-14)28-17-7-3-13(4-8-17)19-11-15-1-2-16(22(25)26)12-20(15)27-19/h1-12,27H,(H3,23,24)(H3,25,26)
InChIKeyInChI1.03OSSYTOVYXCAWPG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385NC(=N)c1ccc(Oc2ccc(cc2)c3[nH]c4cc(ccc4c3)C(N)=N)cc1
SMILESCACTVS3.385NC(=N)c1ccc(Oc2ccc(cc2)c3[nH]c4cc(ccc4c3)C(N)=N)cc1
SMILES_CANONICALOpenEye OEToolkits1.9.2[H]/N=C(\c1ccc(cc1)Oc2ccc(cc2)c3cc4ccc(cc4[nH]3)/C(=N/[H])/N)/N
SMILESOpenEye OEToolkits1.9.2c1cc(ccc1c2cc3ccc(cc3[nH]2)C(=N)N)Oc4ccc(cc4)C(=N)N

221051

件を2024-06-12に公開中

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