basic_info |
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Product_Name: | OXALINE |
CAS: | 55623-37-5 |
EnglishSynonyms: | OXALINE |
pro_mdlNumber: | MFCD09752746 |
pro_acceptors: | 9 |
pro_donors: | 2 |
pro_smile: | CC(C)(C=C)[C@@]12C=C(C(=O)N\3[C@]1(NC(=O)/C3=C\c4c[nH]cn4)N(c5c2cccc5)OC)OC |
InChi: | InChI=1S/C24H25N5O4/c1-6-22(2,3)23-12-19(32-4)21(31)28-18(11-15-13-25-14-26-15)20(30)27-24(23,28)29(33-5)17-10-8-7-9-16(17)23/h6-14H,1H2,2-5H3,(H,25,26)(H,27,30)/b18-11+/t23-,24-/m0/s1 |
InChiKey: | InChIKey=SOHAVULMGIITDH-ZXPSTKSJSA-N |
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