basic_info |
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| Product_Name: | 1,5,13,17,22-PENTAAZATRICYCLO[15.2.2.17,11]DOCOSA-7,9,11(22)-TRIENE-6,12-DIONE |
| CAS: | 54945-23-2 |
| EnglishSynonyms: | 1,5,13,17,22-PENTAAZATRICYCLO[15.2.2.17,11]DOCOSA-7,9,11(22)-TRIENE-6,12-DIONE |
| pro_mdlNumber: | MFCD03411803 |
| pro_acceptors: | 7 |
| pro_donors: | 2 |
| pro_smile: | c1cc2nc(c1)C(=O)NCCCN3CCN(CCCNC2=O)CC3 |
| InChi: | InChI=1S/C17H25N5O2/c23-16-14-4-1-5-15(20-14)17(24)19-7-3-9-22-12-10-21(11-13-22)8-2-6-18-16/h1,4-5H,2-3,6-13H2,(H,18,23)(H,19,24) |
| InChiKey: | InChIKey=PTLIDOZSZAHVJD-UHFFFAOYSA-N |
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