basic_info |
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| Product_Name: | 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE, 3-[2-[(2-METHOXYPHENYL)METHYL]-1H-BENZIMIDAZOL-6-YL]-1-[TRANS-4-(4-METHYL-1-PIPERAZINYL)CYCLOHEXYL]- |
| CAS: | 943973-86-2 |
| EnglishSynonyms: | 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE, 3-[2-[(2-METHOXYPHENYL)METHYL]-1H-BENZIMIDAZOL-6-YL]-1-[TRANS-4-(4-METHYL-1-PIPERAZINYL)CYCLOHEXYL]- ; 3-[2-[(2-METHOXYPHENYL)METHYL]-1H-BENZIMIDAZOL-6-YL]-1-[TRANS-4-(4-METHYL-1-PIPERAZINYL)CYCLOHEXYL]-1H-PYRAZOLO-[3,4-D]PYRIMIDIN-4-AMINE |
| pro_mdlNumber: | MFCD15729704 |
| pro_acceptors: | 10 |
| pro_donors: | 2 |
| pro_smile: | CN1CCN(CC1)[C@@H]2CC[C@H](CC2)n3c4c(c(n3)c5ccc6c(c5)[nH]c(n6)Cc7ccccc7OC)c(ncn4)N |
| InChi: | InChI=1S/C31H37N9O/c1-38-13-15-39(16-14-38)22-8-10-23(11-9-22)40-31-28(30(32)33-19-34-31)29(37-40)21-7-12-24-25(17-21)36-27(35-24)18-20-5-3-4-6-26(20)41-2/h3-7,12,17,19,22-23H,8-11,13-16,18H2,1-2H3,(H,35,36)(H2,32,33,34)/t22-,23- |
| InChiKey: | InChIKey=IIZHAVASXCKFMQ-YHBQERECSA-N |
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