basic_info |
|
| Product_Name： | BIBN 99 |
| CAS： | 145301-48-0 |
| EnglishSynonyms： | BIBN 99 |
| pro_mdlNumber： | MFCD00867672 |
| pro_acceptors： | 8 |
| pro_donors： | 1 |
| pro_smile： | CCCC(C)(C)C(=O)N(CC)CCCC1CCN(CC1)CC(=O)N2c3ccc(cc3C(=O)Nc4c2nccc4)Cl |
| InChi： | InChI=1S/C31H42ClN5O3/c1-5-15-31(3,4)30(40)36(6-2)17-8-9-22-13-18-35(19-14-22)21-27(38)37-26-12-11-23(32)20-24(26)29(39)34-25-10-7-16-33-28(25)37/h7,10-12,16,20,22H,5-6,8-9,13-15,17-19,21H2,1-4H3,(H,34,39) |
| InChiKey： | InChIKey=LUPAFPUKESJDMZ-UHFFFAOYSA-N |
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