basic_info |
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Product_Name: | IBSCREEN-BB BB_NC-0138 |
EnglishSynonyms: | IBSCREEN-BB BB_NC-0138 |
pro_mdlNumber: | MFCD01714476 |
pro_acceptors: | 4 |
pro_donors: | 1 |
pro_smile: | CN1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](C=C[C@H]3[C@H]1C5)O)OC.Br |
InChi: | InChI=1S/C18H21NO3.BrH/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;/h3-6,11-13,17,20H,7-9H2,1-2H3;1H/t11-,12+,13-,17-,18-;/m0./s1 |
InChiKey: | InChIKey=XOXNTPXYPCJBHI-FFHNEAJVSA-N |
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