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| Standard English name | |
|---|---|
| Cas No. | 1349170-00-8 |
| Alias | 4-(3-(6-amino-9-((2R,3R,4S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxytetrahydrofuran-2-yl)-9H-purin-2-yl)prop-2-yn-1-yl)-N-(3-(trifluoromethyl)phenyl)piperidine-1-carboxamide |
| Canonical Smiles | NC1N=C(C#CCC2CCN(CC2)C(=O)NC2C=C(C=CC=2)C(F)(F)F)N=C2C=1N=CN2[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CC1 |
| MDL No. | |
| Exact Mass | 628.23695 |
| Smiles | O[C@H]1[C@H](N2C=NC3=C(N)N=C(C#CCC4CCN(C(NC5=CC=CC(C(F)(F)F)=C5)=O)CC4)N=C23)O[C@H](C(NC6CC6)=O)[C@H]1O |
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| Inchi | InChI=1S/C29H31F3N8O5/c30-29(31,32)16-4-2-5-18(13-16)36-28(44)39-11-9-15(10-12-39)3-1-6-19-37-24(33)20-25(38-19)40(14-34-20)27-22(42)21(41)23(45-27)26(43)35-17-7-8-17/h2,4-5,13-15,17,21-23,27,41-42H,3,7-12H2,(H,35,43)(H,36,44)(H2,33,37,38)/t21-,22+,23-,27+/m0/s1 |
| InchiKey | AJQVDUXRVPAUQA-NBCVKUGOSA-N |
| Remark |
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