basic_info |
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| Product_Name: | 4-AMINO-1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-N-[[4-(TRIFLUOROMETHYL)PHENYL]METHYL]-4-PIPERIDINECARBOXAMIDE |
| CAS: | 885500-14-1 |
| EnglishSynonyms: | 4-PIPERIDINECARBOXAMIDE, 4-AMINO-1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-N-[[4-(TRIFLUOROMETHYL)PHENYL]METHYL]- ; 4-AMINO-1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-N-[[4-(TRIFLUOROMETHYL)PHENYL]METHYL]-4-PIPERIDINECARBOXAMIDE |
| pro_mdlNumber: | MFCD13177896 |
| pro_acceptors: | 7 |
| pro_donors: | 3 |
| pro_smile: | c1cc(ccc1CNC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N)C(F)(F)F |
| InChi: | InChI=1S/C20H21F3N6O/c21-20(22,23)14-3-1-13(2-4-14)11-26-18(30)19(24)6-9-29(10-7-19)17-15-5-8-25-16(15)27-12-28-17/h1-5,8,12H,6-7,9-11,24H2,(H,26,30)(H,25,27,28) |
| InChiKey: | InChIKey=FUXUDBYFXDFVBL-UHFFFAOYSA-N |
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